Volume 231, Issue 1

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Cover and Frontmatter

March 1, 2016

Page range: i-viii

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Open Access
Crystal structure of rac-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid, C₅H₇O₂F₃

February 4, 2016

Bereneice Sephton, Abigail Sephton, Matthew Hickson, Travis Dugmore, Richard Betz

Page range: 1-3

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C 5 H 7 O 3 F 3 , monoclinic, P 2 1 / c , a = 7.9450(4) Å, b = 21.0079(10) Å, c = 8.5285(3), β = 101.240(2)°, V = 1396.17(11) Å 3 , Z = 8, R gt ( F ) = 0.0374, wR ref ( F 2 ) = 0.1005, T = 200.
Open Access
Crystal structure of 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, C₁₂H₁₄O₄

January 12, 2016

Xian-You Yuan, Guo-Kai Jia, Min Zhang, Lin Yuan

Page range: 5-7

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C 12 H 14 O 4 , monoclinic, C 2/ c , a = 32.6674(8) Å, b = 6.0061(2) Å, c = 23.2786(6) Å, α = 90°, β = 103.368(2)°, γ = 90°, V = 4443.6(2) Å 3 , Z = 16, R gt (F) = 0.0459, wR ref (F 2 ) = 0.1412, T = 298(2) K.
Open Access
Crystal structure of ethyl 2-(2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazol-4-yl)acetate, C₁₈H₂₁ClN₂O₃S

February 12, 2016

Zong-Cheng Wang, Jin-Hao Zhao, Jing-Li Cheng, Hong-Yu Jiang, Xiao-Wen Liu

Page range: 9-11

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C 18 H 21 ClN 2 O 3 S, monoclinic, P 2 1 / c , a = 12.582(4) Å, b = 14.790(5) Å, c = 21.406(8) Å, β = 92.572(13)°, V = 3979(2) Å 3 , Z = 8, R gt (F) = 0.0464, wR ref (F 2 ) = 0.1298, T = 298(2) K.
Open Access
The crystal structure of (4E,11E,31E,38E)-1,4,12,15,18,26,31,39-Octaaza-7,21,24-trihydroxy-penta-cyclo[13·13·13·1^6,10·1^20,24·1^33,37]tetratetraconta-4,6(44),7,9,11,18,20(43),21,23,25,31,33(42),34,36,38-pentadecaene, C₃₆H₄₂N₈O₃

February 3, 2016

Hui Zhang, Xin Cao, Bingguang Zhang, Yuhai Liu

Page range: 13-15

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C 36 H 42 N 8 O 3 , trigonal, R -3 (no. 148), a = 30.732(2) Å, c = 18.632(2) Å, V = 15239(2) Å 3 , Z = 18, R gt (F) = 0.0458, wR ref (F 2 ) = 0.1124, T = 293 K.
Open Access
Crystal structure of poly[diaqua-μ₅-4-(3,5-dicarboxylato-κ³O¹:O²:O³-phenoxy)phthalato-κ³O⁵,O⁷:O⁸)(μ₂-4-(1H-pyrazol-5-yl)pyridine-κ²N:N′)dicobalt(II)] C₂₄H₁₆N₃O₁₁Co₂

February 12, 2016

Li-Ping Yao, Yan Zhao

Page range: 17-19

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C 24 H 16 N 3 O 11 Co 2 , monoclinic, P 2 1 / n , a = 7.3343(2) Å, b = 42.2275(12) Å, c = 7.5118(2) Å, β = 100.988(3)°, V = 2283.82(11) Å 3 , Z = 4, R gt (F) = 0.0365, wR ref (F 2 ) = 0.1142, T = 293(2) K.
Open Access
Crystal structure of catena-poly[(μ₂-acetamido-benzoato-κ²O:O′)triphenyltin(IV)], C₂₇H₂₃NO₃Sn

February 3, 2016

Qi-Bao Wang, Rui-Fang Ding, Shan-Shan Sun, Lin Ding

Page range: 21-23

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C 27 H 23 NO 3 Sn, orthorhombic, P 2 1 2 1 2 1 , a = 8.9287(7) Å, b = 15.0252(12) Å, c = 18.4531(14) Å, V = 2475.6(3) Å 3 , Z = 4, R gt (F) = 0.0315, wR ref (F 2 ) = 0.0861, T = 296(2) K.
Open Access
Crystal structure of chlorido(2,2′-((1E,1′E)-(((1R,2R)-cyclohexane-1,2-diyl)bis(azanylylidene))bis(methylylidene))diphenolato-κ⁴N,N′,O,O′)iron(III), C₂₀H₂₀ClFeN₂O₂

February 9, 2016

Xia Chen, Chongchong Xue, Daopeng Zhang

Page range: 25-27

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C 20 H 20 ClFeN 2 O 2 , monoclinic, P 2 1 (no. 4), a = 8.7346(3) Å, b = 15.2594(5) Å, c = 13.9586(6) Å, β = 93.445(3)°, V = 1857.11(12) Å 3 , Z = 4, R gt (F) = 0.0425, wR ref (F 2 ) = 0.0988, Flack parameter = 0.0(2), T = 293 K.
Open Access
Crystal structure of (E)-3-(4-tert-butyl)phenyl)-1-(3-chlorophenyl)prop-2-en-1-one, C₁₈H₁₇CIO

January 9, 2016

Meng-Ya Dong, Xiang-Dong Mei, Yao-Fa Li, Lan-Xiang Zhang, Wen-Liang Pan, Zhan-Lin Gao, Jun Ning

Page range: 29-30

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C 18 H 17 ClO, monoclinic, P2 1 /c (No. 14), a = 5.9172(3) Å, b = 7.5758(6) Å, c = 33.1334(16) Å, β = 93.666(5)°, V = 1482.2(16) Å 3 , Z = 4, R gt (F) = 0.0453, wR ref (F 2 ) = 0.1116, T = 180 K.
Open Access
Crystal structure of trans-1,2-bis(pyridinium-4-yl)ethylene–2-carboxy-4-methylbenzoate (1/2), C₃₀H₂₆N₂O₈

February 4, 2016

Liu Jing, Han Min-Le

Page range: 31-33

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C 30 H 26 N 2 O 8 , monoclinic, C 2/ c (no. 15), a = 17.567(2) Å, b = 13.1375(17) Å, c = 13.4212(17) Å, β = 124.08(1)°, V = 2565.3(6) Å 3 , Z = 4, R gt (F) = 0.0379, wR ref (F 2 ) = 0.0839, T = 296 K.
Open Access
Crystal structure of poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]

February 3, 2016

Rong-Hua Zhang, Dan Zhao, Fa-Xue Ma

Page range: 35-36

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C 10 H 14 N 2 O 9 PbZn, triclinic, P 1̅ (no. 2), a = 7.4992(6) Å, b = 8.2890(7) Å, c = 11.8236(10) Å, α = 101.604(1)°, β = 106.540(1)°, γ = 98.931(1)°, V = 672.25(10) Å 3 , Z = 2, R gt (F) = 0.019, wR ref (F 2 ) = 0.044, T = 296(2) K.
Open Access
Crystal structure of (E)-2-((2-(2,4-dinitrophenyl)hydrazono)methyl)-4-nitrophenol — triethylamine (2/1), C₃₂H₃₃N₁₁O₁₄

February 3, 2016

Xun Feng, Ai-Qin Tian, Cai-Lu Wang, Yang Wang

Page range: 37-39

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C 32 H 33 N 11 O 14 , Monoclinic, P 2 1 / c a = 12.3339(18) Å, b = 37.764(5) Å, c = 8.2077(12) Å, α = 90°, β = 109.053(2)°, γ = 90°, V = 3613.6(9) Å 3 , Z = 4, R gt (F) = 0.0621, wR ref (F 2 ) = 0.1574, T = 296(2) K.
Open Access
Crystal structure of catena-poly[diaqua-bis-(μ₂-5-carboxy-2-(pyridin-4-yl)benzoato-κ²O:N)cadmium(II)] dihydrate, C₂₆H₂₄N₂O₁₂Cd

January 23, 2016

Yan Zhao, Dai-Jian Guo

Page range: 41-42

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C 26 H 24 N 2 O 12 Cd, triclinic, P 1̅, a = 6.9812(9) Å, b = 8.6834(11) Å, c = 11.5157(15) Å, α = 86.649(10) o , β = 88.686(10) o , γ = 85.008(10) o , V = 694.14(15) Å 3 , Z = 1, R gt (F) = 0.0271, wR ref (F 2 ) = 0.0815, T = 293(2) K.
Open Access
Crystal structure of 2-(ethoxycarbonyl)-2-(2-nitro-1-phenylethyl)-3-oxopyrrolidinium chloride, C₁₅H₁₉N₂O₅Cl

February 9, 2016

Nilay Bhatt, Marivale Samipillai, Sukant Kishore Das, Hendrik Gert Kruger, Thavendran Govender, Glenn E.M. Maguire

Page range: 43-45

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C 15 H 19 N 2 O 5 Cl, triclinic, P 1̅ (no. 2), a = 8.2232(9) Å, b = 8.5833(10) Å, c = 12.5916(13) Å, β = 100.713(5)°, V = 833.39 Å 3 , Z = 2, R gt (F) = 0.0331, wR ref (F 2 ) = 0.0870, T = 173 K.
Open Access
Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C₁₁H₁₀N₂OS

February 8, 2016

Hao-Jie Yan, Zhi-Peng Wang, Qi-Qi Zhang, Wen-Hua Chen

Page range: 47-48

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C 11 H 10 N 2 OS, monoclinic, Pc (no. 7), a = 12.050(3) Å, b = 5.5218(13) Å, c = 8.1813(19) Å, β = 107.934(6)°, V = 517.9(2) Å 3 , Z = 2, R gt (F) = 0.0483, wR ref (F 2 ) = 0.1247, T = 296 K.
Open Access
Crystal structure of 2,5-diethoxy-1,4-bis[2-(quinoline)ethenyl]benzene, C₃₂H₂₈N₂O₂

February 3, 2016

Zhao-Di Liu, Fei Sun, Fan Wang, Hua-Jie Xu

Page range: 49-51

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C 32 H 28 N 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 10.1291(10) Å, b = 25.7313(3) Å, c = 10.2395(10) Å, β = 106.521(1)°, V = 2558.6(4) Å 3 , Z = 4, R gt (F) = 0.0402, wR ref (F 2 ) = 0.1045, T = 296(2) K.
Open Access
Crystal structure of diaqua(μ₂-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ²N:N′)tetrakis(3-carboxy-5-ethylpyridine-2-carboxylato-κ²N,O)dizinc(II), C₅₄H₅₀N₈O₁₈Zn₂

February 9, 2016

Li Xiao-Ling, Wang Ke-Qiang, Li Zhao-Xiao, Zhang Xue

Page range: 53-55

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C 54 H 50 N 8 O 18 Zn 2 , orthorhombic, Pbca (no. 61), a = 14.5349(5) Å, b = 17.3183(5) Å, c = 20.8872(7) Å, V = 5257.7(3) Å 3 , Z = 8, R gt (F) = 0.0401, wR ref ( F 2 ) = 0.1185, T = 293(2) K.
Open Access
Crystal structure of a poly[bis(3,4,5,6-tetrachlorophthalato)neodym(III)potassium(I)] — 4,4′-bipyridine — water (1/1/5.5)

February 3, 2016

Fan Zhang, Ya-Jie Qu, Wen-Hua Wu, Yu-Heng Deng

Page range: 57-59

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C 26 H 19 Cl 8 KN 2 NdO 13.5 , triclinic, P 1̅ (no. 2), a = 8.6114(17) Å, b = 12.665(3) Å, c = 16.997(3) Å, α = 96.53(3)°, β = 103.28(3)°, γ = 97.89(3)°, V = 1766.6(6) Å 3 , Z = 2, R gt (F) = 0.0254, wR ref (F 2 ) = 0.0838, T = 293 K.
Open Access
The second polymorph of triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide, C₉H₁₈N₄S₃

February 4, 2016

Peizhi Wang, Huahui Zeng, Xiangxiang Wu

Page range: 61-63

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C 9 H 18 N 4 S 3 , monoclinic, P 2 1 / c (no. 14), a = 12.8444(3) Å, b = 15.7980(5) Å, c = 14.1803(4), β = 98.293(2)°, V = 2847.32(14) Å 3 , Z = 8, R gt (F) = 0.0510, wR ref (F 2 ) = 0.1466, T = 296 K.
Open Access
Crystal structure of 2,2′-diamino-[1,1′-biphenyl]-4,4′-dicarboxylic acid dihydrate, C₁₄H₁₆N₂O₆

February 9, 2016

Alla Dikhtiarenko, Alma I. Olivos Suarez, Alexey Pustovarenko, Santiago García-Granda, Jorge Gascon

Page range: 65-67

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C 14 H 16 N 2 O 6 , triclinic, P 1̅ (no. 2), a = 10.0254(5) Å, b = 11.2726(6) Å, c = 13.4494(7) Å, α = 111.535(2)°, β = 92.068(2)°, γ = 102.644(2)°, V = 1368.16(13) Å 3 , Z = 4, R gt (F) = 0.047, wR ref (F 2 ) = 0.133, T = 150 K.
Open Access
Crystal structure of the catena-poly[bis(1H-imidazole-κN)-(μ₂-furan-2,5-dicarboxylato-κ²O¹:O⁴)manganese(II)]monohydrate, C₁₂H₁₂MnN₄O₆

January 29, 2016

Yuan-Rui Wang, Wen-Yuan Gao, Ya-Feng Li

Page range: 69-70

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C 12 H 12 MnN 4 O 6 , monoclinic, P 2 1 / c (no. 14), a = 8.1583(16) Å, b = 16.525(3) Å, c = 13.134(3) Å, β = 117.96(3)°, V = 1564.0(7) Å 3 , 4 = 2, R gt (F) = 0.0503, wR ref (F 2 ) = 0.1579, T = 293 K.
Open Access
Crystal structure of (acetylacetonato-κ²O:O′)bis-((1-(2-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one)-κ²C,N)iridium(III), C₃₃H₂₇IrN₂O₆

December 15, 2015

Yun-Lai Ren, Wen-Hui Wang, Bin-Yu Wang, Zhi-Qiang Wang

Page range: 71-73

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C 33 H 27 lrN 2 O 6 , Triclinic, P-1, a = 7.4840(11) Å, b = 11.7312(17) Å, c = 17.438(2) Å, V = 1427.0(3) Å 3 , Z = 2, R gt (F) = 0.0280, wR ref (F 2 ) = 0.0677, T = 293(2) K.
Open Access
Crystal structure of 1-benzyl-3-(4-methylpyridin-2-yl)-1H-imidazol-3-ium hexafluorophosphate, C₁₆H₁₆F₆N₃P

February 4, 2016

Zhi-Qiang Wang, Wen-Hui Wang, Yun-Lai Ren

Page range: 75-76

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C 16 H 16 F 6 N 3 P, monoclinic, P 2 1 / n , a = 8.6414(8) Å, b = 20.755(2) Å, c = 10.1157(8) Å, β = 104.686(9)°, V = 1755.0(3) Å 3 , Z = 4, R gt (F) = 0.0547, wR ref (F 2 ) = 0.1496, T = 291(2) K.
Open Access
Crystal structure of tetraethylammonium 3,5-dinitrosalicylate, C₁₅H₂₃N₃O₇

December 17, 2015

Marietjie Schutte-Smith, Hendrik G. Visser, Andreas Roodt

Page range: 77-79

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C 7 H 3 N 2 O 7 , C 8 H 20 N, monoclinic, P 2 1 /n, a = 11.477(3) Å, b = 6.858(1) Å, c = 21.254(5) Å, β = 92.96(1)°, V = 1670.6(9) Å 3 , Z = 4, R gt (F) = 0.0432, wR ref (F 2 ) = 0.1279, T = 100(2) K.
Open Access
Crystal structure of 4-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydropyrazol-1-yl] benzenesulfonamide, C₂₁H₁₈FN₃O₃S

December 15, 2015

Abdullah Aydın, Sinan Bilginer, Halise Inci Gul, Mehmet Akkurt, Ebru Mete

Page range: 81-83

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C 21 H 18 FN 3 O 3 S, monoclinic, P 2 1 (no. 4), a = 11.6665(3) Å, b = 5.7483(2) Å, c = 14.7695(4) Å, α = 90°, β = 103.841(1)°, γ = 90°, V = 961.72(5) Å 3 , Z = 2, R gt (F) = 0.0340, wR ref (F 2 ) = 0.0852, T = 296(2) K.
Open Access
Crystal structure of 2,4-dichlorobenzene anhydride, C₁₄H₆Cl₄O₃

December 15, 2015

Hai-Tao Qu, Ying Fu, Fei Ye

Page range: 85-86

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C 14 H 6 C l4 O 3 orthorhombic, Pccn (no. 56), a = 11.884(2) Å, b = 11.902(2) Å, c = 10.509(2) Å, V = 1235.9(5) Å 3 , Z = 4, R gt (F) = 0.0440, wR ref (F 2 ) = 0.1047, T = 293 K.
Open Access
Crystal structure of bis(2-hydroxy-2-phenylacetato-κ²O,O′)bis(pyridine-κN)nickel(II), C₂₆H₂₄N₂NiO₆

December 15, 2015

Cheng-Liang Zhao, Heng-Qiang Zhang, Ying Jin, You-Xin Song, Xiang-Wei Meng

Page range: 87-88

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C 26 H 24 N 2 NiO 6 , hexagonal, P6522 (no. 179), a = b = 11.0161(4) Å, c = 33.1459(8) Å, V = 3483.5(9) Å 3 , Z = 6, R gt (F) = 0.0376, wR ref (F 2 ) = 0.0879, T = 295 K.
Open Access
Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ⁴-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C₁₇H₁₈BN₃O₅·2H₂O

January 14, 2016

Chunhua Ge, Juanjuan Liu, Zhe Xü, Yang Zhang, Xiangdong Zhang

Page range: 89-91

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The title compound has been synthesized and characterized by IR, 1 H NMR, elemental analysis as well as single crystal X-ray diffraction techniques. Crystal structure analysis reveals that the boron atom is tetrahedrally bonding with one carbon atom, one nitrogen atom, and two oxygen atoms. The bond between nitrogen atom and boron atom is a coordination bond.
Open Access
Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C₁₃H₉NO₅

January 12, 2016

Xi-Gang Du, Chun-Wei Wang

Page range: 93-95

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C 13 H 9 NO 5 , triclinic, P 1̅, a = 7.6228(12) Å, b = 10.5401(16) Å, c = 14.669(2) Å, α = 94.801(2)°, β = 91.188(2)°, γ = 105.664(2)°, Z = 4, D c = 1.524 g/cm 3 , Formula weight = 259.21, F (000) = 536, V = 1129.7(3) Å 3 , R gt (F) = 0.038, wR ref (F 2 ) =0.107, T = 296 K.
Open Access
Crystal structure of catena-poly[hexaaquabis(μ₂-3-nitrophthalate-κ²O:O′)-(μ₂-1,4-bis(4-pyridylmethyl)piperazine-κ²N:N′)dimanganese(II)] dihydrate, C₃₂H₄₂Mn₂N₆O₂₀

February 11, 2016

Yin Wei-Dong, Duan Yu-Hao, Li Gui-Lian

Page range: 97-99

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C 32 H 42 Mn 2 N 6 O 20 , monoclinic, P 2 1 / c (no. 14), a = 10.200(2) Å, b = 19.893(4) Å, c = 11.3785(17) Å, b = 123.118(12)°, V = 1933.7(7) Å 3 , Z = 2, R gt ( F ) = 0.0602, wR ref ( F 2 ) = 0.1673, T = 293 K.
Open Access
Crystal structure of diaquabis(bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate-κ⁴O, O′:/O′′,O′′′)bis-(2,2′-bipyridine-κ²N, N′)dicadmium(II) hydrate

December 17, 2015

Wu Hai-Xia, Zhang Hai-Yan, Xin Ling-Yun

Page range: 101-103

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The complex: C 19 H 18 CdN 2 O 5 , Triclinic, P-1, a = 9.6654(11) Å, b = 10.5458(12) Å, c = 10.7081(12) Å, α = 108.5220(10)°, β = 92.0640(10)°, γ = 111.4760(10)°, V = 948.62(19) Å 3 , R gt (F) = 0.0200, wR ref (F 2 ) = 0.0535, Z = 2, T = 293(2) K.
Open Access
Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea

January 6, 2016

Xiao-Juan Wang

Page range: 105-107

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C 16 H 14 FN 3 S 2 , orthorhombic, P 21, a = 7.1583(9) Å, b = 28.524(4) Å, c = 7.6021(8) Å, α = 90.00°, β = 94.443(11)°, γ = 90.00°, V = 1547.6(3) Å 3 , Z = 4, R gt (F) = 0.0547, wR ref (F 2 ) = 0.1346, T = 293(2) K.
Open Access
Crystal structure of poly[(μ₂-1,4-bis((1H-imidiazol-1-yl)methyl)benzene-κ²N:N′)-(μ₂-4,4′-(1,2-phenylenebis(oxy)dibenzoato-κ⁴O,O′:O′′,O′′′)nickel(II)], C₃₄H₂₆O₆N₄Ni

December 17, 2015

Yongnian Yan, Yanjuan Qi

Page range: 109-111

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C 34 H 26 O 6 N 4 Ni, monoclinic, P2 1 / c , a = 11.4709(19) Å, b = 13.328(2) Å, c = 20.062(3) Å, β = 94.305(3)°, V = 3058.5(9) Å 3 , Z = 4, R gt (F) = 0.0393, wR ref (F 2 ) = 0.0868, T = 293 K.
Open Access
Crystal structure of 3′,4′,5-trihydroxy-3,7-dimethoxyflavone, C₁₇H₁₄O₇

February 9, 2016

Iván Brito, Mario Simirgiotis, Gerold Jerz, Miriam Rodríguez Werner, Jorge Bórques, Peter Winterhalter, Alejandro Cárdenas

Page range: 113-115

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C 17 H 14 O 7 , monoclinic, P 2 1 / c (no. 14), a = 11.6670(4) Å, b = 11.3338(4) Å, c = 11.6415(4) Å, β = 110.269(1) Å, V = 1444.05(9) Å 3 , Z = 4, R gt (F) = 0.038, wR ref (F 2 ) = 0.117, T = 296 K.
Open Access
Crystal structure of n-butyl-chlorido-bis[N-sec-butyl,N-n-propyl-carbamodithioato κ²S,S′]-tin(IV), C₂₀H₄₁ClN₂S₄Sn

February 9, 2016

Amirah Faizah Abdul Muthalib, Ibrahim Baba, Siti Nadiah Abdul Halim, Edward R. T. Tiekink

Page range: 117-120

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C 20 H 41 ClN 2 S 4 Sn, triclinic, P 1̅ (no. 2), a = 10.0750(3) Å, b = 10.7593(7) Å, c = 13.3097(6) Å, α = 74.619(5)°, β = 86.861(3)°, γ = 88.582(4)°, V = 1388.93(12) Å 3 , Z = 2, R gt (F) = 0.044, wR ref (F 2 ) = 0.106, T = 100 K.
Open Access
Crystal structure of poly[bis(μ₄-4,4′-(1,2-phenylenebis(oxy))dibenzoato-κ⁴O:O′:O′′:O′′′)bis(μ₃-4,4′-(1,2-phenylenebis(oxy))dibenzoato–κ³O:O′:O′′)(μ₂-1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole-κ²N:N′)tetracobalt(II)], C₉₄H₆₂O₂₄N₄Co₄

January 9, 2016

Ye Gao

Page range: 121-123

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C 94 H 62 O 24 N 4 Co 4 , triclinic, P 1̅, a = 9.3604(11) Å, b = 11.7945(14) Å, c = 19.805(2) Å, α = 94.227(2)°, β = 98.390(2)°, γ = 98.965(2)°, V = 2126.2(4) Å 3 , Z = 1, R gt (F) = 0.0540, wR ref (F 2 ) = 0.1163, T = 293 K.
Open Access
Crystal structure of catenapoly[diaqua-(μ₂4,4′-bipyridine)-κ²N:N′)-bis(2,6-difluorobenzoate)-κO)nickel(II)] ethanol monosolvate, C₂₈H₃₀F₄N₂O₈Ni

January 6, 2016

Yuan Hou-Qun, Xiao Wei, Hu Chun-Yan, Bao Guang-Ming

Page range: 125-127

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C 28 H 30 F 4 N 2 O 8 Ni, Monoclinic, P2 1 / n , a = 10.164(7) Å, b = 13.927(9) Å, c = 11.409(8) Å, β = 111.863(10) V = 1498.9(18) Å 3 , Z = 2, R gt (F) = 0.0389, wR ref (F 2 ) = 0.0957, T = 296(2) K.
Open Access
Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C₁₄H₁₁N₃S

January 6, 2016

Ahmed K. Hijazi, Qutaiba Abu-Salem, Abdulaziz Ajlouni, Ziyad A. Taha

Page range: 129-131

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C 14 H 11 N 3 S orthorhombic, Pbcn (No. 60), Z = 8, a = 19.8130(12) Å, b = 8.1643(5) Å, c = 14.9521(9) Å, V = 2418.6(3) Å 3 , Z = 8, T = 100(2) K, GooF = 1.055, R gt (F) = 0.0308, wR ref (F 2 ) = 0.0845.
Open Access
Crystal structure of 2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine, C₁₈H₁₆N₂O

January 8, 2016

Hong-Mei Li, En-Pu Zu, Chen Xu

Page range: 133-134

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C 18 H 16 N 2 O, Monoclinic, P 2 1 / c , a = 12.1735(3) Å, b = 7.36483(18) Å, c = 16.1137(4) Å, β = 103.028(2)°, V = 1407.50(6) Å 3 , Z = 4, R gt (F) = 0.0387, wR ref (F 2 ) = 0.1087, T = 291.15 K.
Open Access
Crystal structure of catena-poly[diaquabis(μ₂-3-carboxybenzene-1,2-dicarboxylato-1:2κ²O:O′)-(μ₂-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)-benzene-1:1′κ²N:N′)dizinc(II)], [Zn₂(C₂₆H₂₆N₄)(C₉H₄O₆)₂(H₂O)₂]

January 8, 2016

Chunying Xu, Jili Li, Song Lei, Shenshen Li, Tong Su

Page range: 135-138

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The structure of C 22 H 19 N 2 O 7 Zn, has a triclinic( P -1) symmetry. a = 8.1731(16) Å, b = 8.7150(17) Å, c = 15.396(3) Å, α = 75.40(3)°, β = 79.26(3)°, γ = 71.82(3)°, V = 1001.3(3) Å 3 , Z = 2, R gt (F) = 0.0320, wR ref ( F 2 ) = 0.0768, T = 293(2) K.
Open Access
Crystal structure of diaquabis(phenoxyacetato-κ²O,O′)-zinc(II), C₁₆H₁₈O₈Zn

January 6, 2016

Wei Xiao, Hou-Qun Yuan, Yan-Xia Li, Chun-Yan Hu, Guang-Ming Bao

Page range: 139-140

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C 16 H 18 O 8 Zn, Monoclinic, C 2, a = 11.612(2) Å, b = 5.2119(11) Å, c = 13.762(3) Å, β = 101.151(3)°, V = 817.2(3) Å 3 , Z = 2, R gt (F) = 0.0248, wR ref (F 2 ) = 0.0790, T = 296(2) K.
Open Access
Crystal structure of 4-(1H-imidazol-1-yl)-6-pyrimidinylferrocene, C₁₇H₁₄FeN₄

January 12, 2016

Xin-Ling Wang, Hong-Mei Li

Page range: 141-143

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C 17 H 14 FeN 4 , monoclinic, P 2 1 / c , a = 11.8213(11) Å, b = 10.3610(10) Å, c = 11.8552(11) Å, α = γ = 90°, β = 101.1540(10)°, V = 1424.6(2) Å 3 , Z = 4, R gt (F) = 0.0233, wR ref (F 2 ) = 0.0653, T = 296(2) K.
Open Access
Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ²C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C₃₈H₄₅ClN₄OPd

January 8, 2016

Xin-Ling Wang, Hong-Mei Li

Page range: 145-147

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C 38 H 45 ClN 4 OPd, trigonal, R 3 m , a = 30.1968(8) Å, b = 30.1968(8) Å, c = 11.4611(3) Å, α = β = 90°, γ = 120.00°, V = 9050.7(4) Å 3 , Z = 9, R gt (F) = 0.0397, wR ref (F 2 ) = 0.1053, T = 291.15 K.
Open Access
Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C₁₈H₁₃Cl₂NO₃

January 20, 2016

Feng-Cui Li, Qi-Lin Shi, Xiao-Hu Zhou, Yang Ren, Hai Xu

Page range: 149-151

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C 18 H 13 Cl 2 NO 3 , Mr = 362.19, monoclinic, P 21/ n , a = 13.6464(2) Å, b = 18.1592(3) Å, c = 13.9829(2) Å, β = 107.557(1)°, V = 3303.66(9) Å 3 , Z = 8, Mo K α radiation, μ = 0.41 mm −1 , T = 296 K, 0.30 × 0.20 × 0.20 mm.
Open Access
Crystal structure of 4,4′-bipyridin-1-ium 3,3′,5′-tricarboxy-[1,1′-biphenyl]-2-carboxylate, (C₂₆H₁₈N₂O₈)

January 6, 2016

Li-Ping Yao, Yan Zhao

Page range: 153-155

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C 26 H 18 N 2 O 8 , triclinic, P 1̅ (No. 2), a = 10.101(5) Å, b = 10.589(6) Å, c = 10.705(6) Å, α = 93.183(8)°, β = 108.614(8)°, γ = 97.323(8)°, V = 1070.5(10) Å 3 , Z = 2, R gt (F) = 0.0399, wR ref (F 2 ) = 0.1027, T = 296(2) K.
Open Access
Crystal structure of catena-poly[diaqua-μ₂-4,4′-biphenyl-4,4′-diyldipyridine-κ²N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C₄₀H₄₀N₄O₁₂Ni

February 12, 2016

Shi-Hui Li, Xu-Ze Hu, Yan Zhao

Page range: 157-159

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C 40 H 40 N 4 O 12 Ni, triclinic, P 1̅, a = 7.6612(6) Å, b = 8.0725(7) Å, c = 16.3021(10) Å, α = 89.394(6)°, β = 77.966(6)°, γ = 69.868(8)°, V = 923.75(12) Å 3 , Z = 1, R gt (F) = 0.0492, wR ref (F 2 ) = 0.1309, T = 293(2) K.
Open Access
Crystal structure of poly-[μ₂-4,4′-bipyridine-κ²N:N′−μ₃-thiophene-2,3-di-carboxylato-κ⁴O,O′, O′′:O′′′ -cadmium(II)]

January 8, 2016

Li-Ping Yao, Li Zhang

Page range: 161-163

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C 16 H 10 N 2 O 4 S 1 Cd, orthorhombic, P2(1)2(1)2(1), a = 8.977(2) Å, b = 11.751(3) Å, c = 14.224(4) Å, α = 90°, β = 90°, γ = 90°, V = 1500.6(6) Å 3 , Z = 4, R gt (F) = 0.0188, wR ref (F 2 ) = 0.0431, T = 296(2) K.
Open Access
Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C₁₂H₁₈MnO₁₄S₂

January 12, 2016

Yan Zhao, Shi-Hui Li, Li Zhang

Page range: 165-167

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C 12 H 18 O 14 S 2 Mn, Triclinic, P 1̅, a = 6.5076(10) Å, b = 8.4923(13) Å, c = 9.8092(15) Å, α = 66.6180(10)°, β = 86.903(2)°, γ = 82.235(2)°, V = 493.02(13) Å 3 , Z = 1, R gt (F) = 0.0569, wR ref (F 2 ) = 0.1756, T = 296(2) K.
Open Access
Crystal structure of 4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoic acid, C₁₄H₁₀N₄O₂

January 20, 2016

Yan Zhao, Li Zhang

Page range: 169-170

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C 14 H 10 O 2 N 4 , monoclinic, P 2 1 / c , a = 11.750(18) Å, b = 8.194(13) Å, c = 12.91(2) Å, β = 102.306(19)°, V = 1214(3) Å 3 , Z = 4, R gt (F) = 0.0505, wR ref (F 2 ) = 0.1098, T = 296(2) K.
Open Access
Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile)

January 13, 2016

Pedro De-La-Torre, Margarita Gutierrez, Julio Caballero, Jorge Trilleras, Luis Astudillo, Alejandro Cardenas, Ivan Brito

Page range: 171-173

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C 15 H 9 N 3 S, triclinic, P 1̅ (no. 2), a = 9.5737(5) Å, b = 12.0958(4) Å, c = 12.2705(7) Å, α = 64.083(5) Å, β = 80.907(4) Å, γ = 82.800(4), V = 1259.44(11) Å 3 , Z = 4, R gt (F) = 0.0460, wR ref (F 2 ) = 0.140, T = 293(2) K.
Open Access
Crystal structure of catena-poly[2,2′-bipyridinyl-6,6′-dicarboxylato-κ⁴N,N′,O,O′)-(μ₂-2,2′-bipyridinyl-6′-carboxyl-6-carboxylato-κ⁵N,N′,O,O′:O′′)samarium(III)] monohydrate, C₂₄H₁₃N₄O₈Sm · H₂O

February 11, 2016

Li Zhang, Mei Zhu

Page range: 175-177

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C 24 H 15 N 4 O 9 Sm, monoclinic, P 2 1 /n, a = 6.780(2) Å, b = 27.939(8) Å, c = 11.546(4) Å, β = 101.630(4)°, V = 2142.1(12) Å 3 , Z = 4, R gt (F) = 0.0221, wR ref (F 2 ) = 0.0587, T = 296(2) K.
Open Access
Crystal structure of catena-poly[bis(μ₂-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato)-κ²N:O)copper(II)] dihydrate, C₂₈H₂₂N₈O₆Cu

January 12, 2016

Yan Zhao, Mei Zhu

Page range: 179-181

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C 28 H 22 O 6 N 8 Cu, Triclinic, P 1̅, a = 6.826(5) Å, b = 9.040(7) Å, c = 10.930(8) Å, α = 101.068(8)°, β = 95.054(8)°, γ = 96.278(8)°, V = 653.8(9) Å 3 , Z = 1, R gt (F) = 0.0469, wR ref (F 2 ) = 0.1063, T = 293(2) K.
Open Access
Crystal structure of catena-poly[tetraaqua-(μ₂-4,4′-bipyridine-k²N:N′)-zinc(II)] fumarate tetrahydrate, C₁₄H₂₆N₂O₁₂Zn

January 12, 2016

Zhi-Jun Yang, Tian-Jun Ni, Guang-Jie He

Page range: 183-184

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C 14 H 26 N 2 O 12 Zn, triclinic, P 1̅, a = 7.051(9) Å, b = 7.807(10) Å, c = 9.752(12) Å, α = 79.374(13)°, β = 86.453(14)°, γ = 72.699(14)°, V = 503.7(11) Å 3 , Z = 1, R gt (F) = 0.0296 wR ref (F 2 ) = 0.0783, T = 296(2) K.
Open Access
Crystal structure of triaqua-(1,10-phenanthroline)-(dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato) cobalt(II)dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, C₇₂H₈₂Co₂N₁₆O₄₂

January 9, 2016

Guang-Jie He, Tian-Jun Ni, Zhi-Jun Yang

Page range: 185-189

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C 72 H 82 Co 2 N 16 O 42 , triclinic, P 1̅, a = 15.7653(19) Å, b = 16.955(2) Å, c = 18.838(2) Å, α = 70.35(2)°, β = 87.78(2)°, γ = 63.73(2)°, V = 4216.5(8) Å 3 , Z = 2, R gt (F) = 0.0735, wR ref (F 2 ) = 0.1405, T = 296(2) K.
Open Access
Crystal structure of poly[dibromido-(μ₂–4,4′-bis-(pyrid-4-yl)biphenyl-κ²N:N′)lead(II)], C₂₂H₁₆N₂PbBr₂

February 12, 2016

Yan Zhao, Xu-Ze Hu, Rui Zhang

Page range: 191-192

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C 22 H 16 N 2 Br 2 Pb, monoclinic, C 2/ c , a = 32.262(11) Å, b = 4.2743(15) Å, c = 16.205(6) Å, β = 115.582(4)°, V = 2015.5(12) Å 3 , Z = 4, R gt (F) = 0.0578, wR ref (F 2 ) = 0.1163, T = 296(2) K.
Open Access
Crystal structure of catena-poly[diaqua-bis(μ₂-5-carboxy-2-(pyridin-4-yl)benzoato-κ₂O:N)-cobalt(II)]dihydrate, C₂₆H₂₄N₂O₁₂Co

January 23, 2016

Yan Zhao, Xu-Ze Hu, Shi-Hui Li

Page range: 193-194

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C 26 H 24 N 2 O 12 Co, triclinic, P 1̅, a = 6.892(3) Å, b = 8.469(4) Å, c = 11.306(5) Å, α = 86.963(6)°, β = 88.691(5)°, γ = 85.404(6)°, V = 694.14(15) Å 3 , Z = 1, R gt (F) = 0.0561, wR ref (F 2 ) = 0.1319, T = 293(2) K.
Open Access
Crystal structure of 5-(4-pyridyl)pyrimidine–4,4′-bipyridine–1,3,5-benzenetriol–water (1:1:1:1), C₂₅H₂₃N₅O₄

January 8, 2016

Wen-Jun Xu, De-Qiang Qi, Jin-Zong You, Xue-Jie Wang, Yi-Ping Zhang, Fei-Fei Hu, Jia-Ying Bian, Chun-Xia Yang, Juan Huang

Page range: 195-197

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C 25 H 23 N 5 O 4 , triclinic, P1̅ (no. 2), a = 8.157(2) Å, b = 9.262(2) Å, c = 15.465(4) Å, α = 87.887(4)°, β = 89.803(4)°, γ = 72.727(4)°, V = 1114.9(5) Å 3 , Z = 2, R gt (F) = 0.0755, wR ret (F 2 ) = 0.184, T = 298 K.
Open Access
Crystal structure of 5-hydroxy-4-((4-hydroxyphenyl)imino)naphthalen-1(4H)-one monohydrate, C₁₆H₁₁NO₃ · 0.5H₂O

January 8, 2016

Julio Benites, Jaime A. Valderrama, Cynthia Estela, David Ríos, Alejandro Cárdenas, Iván Brito

Page range: 199-201

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C 16 H 11 NO 3 ·H 2 O, triclinic, P-1 (no. 2), a = 7.4445(3) Å, b = 13.7846(7) Å, c = 14.0875(9) Å, α = 109.945(5)°, β = 101.686(4)°, γ = 101.735(4)°, V = 1271.15(13) Å 3 , Z = 2, R gt (F) = 0.034, wR ref (F 2 ) = 0.093, T = 293(2) K.
Open Access
Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C₁₄H₁₄N₂O₂

February 6, 2016

Yahia Nasser Mabkhot, Assem Barakat, Hazem A. Ghabbour, Hoong-Kun Fun

Page range: 203-204

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C 14 H 14 N 2 O 2 , P 2 1 / n (no. 14), a = 13.5536(9) Å, b = 5.0730(3) Å, c = 17.6641(12) Å, β = 100.448(2)°, V = 1194.40(13) Å 3 , Z = 4, R gt (F) = 0.046, wR(F 2 ) = 0.125, T = 100 K.
Open Access
Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C₁₅H₁₄O₆

January 6, 2016

Julio Benites, Jaime A. Valderrama, David Ríos, Alejandro Cárdenas, Iván Brito

Page range: 205-206

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C 15 H 14 O 6 , triclinic, P 1̅ (no. 2), a = 8.2996(5) Å, b = 8.3739(4) Å, c = 10.7565(5) Å, α = 94.942(3)°, β = 112.199(4)°, γ = 102.752(4)°, V = 663.09(6) Å 3 , Z = 2, R gt (F) = 0.044, wR ref (F 2 ) = 0.1134, T = 299 K.
Open Access
Crystal structure of dichlorido[bis(2-hydroxyethyl)5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylato]zinc(II), C₃₉H₃₁Cl₂N₃O₆Zn

January 9, 2016

Yaping Li, Dajun Sun, Julia Ming, Guanfang Su

Page range: 207-209

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C 39 H 31 Cl 2 N 3 O 6 Zn, monoclinic, C2/c , a = 20.7287(17) Å, b = 14.4602(11) Å, c = 11.2765(9) Å, β = 90.0°, V = 3380.0(5) Å 3 , Z = 4, R gt (F) = 0.0487, wR ref (F 2 ) = 0.1334, T = 293 K.
Open Access
Crystal structure of bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] benzene-1,4-dicarboxylate (C₂₀H₁₈F₂N₃O₃)₂(C₈H₄O₄), C₄₈H₄₀F₄N₆O₁₀

January 20, 2016

Zhe An, Ling Zhu, Xin-Hua Zhao

Page range: 211-212

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C 48 H 40 N 6 O 10 F 4 , monoclinic, C 2/ c a = 29.701(2) Å, b = 11.1940(8) Å, c = 13.1275(9) Å, β = 97.393(6)°, V = 4328.2(5) Å 3 , Z = 4, R gt (F) = 0.0462, wR ref (F 2 ) = 0.1337, T = 296 K.
Open Access
Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C₁₄H₁₂O₄

January 12, 2016

Julio Benites, Jaime A. Valderrama, David Ríos, Alejandro Cárdenas, Iván Brito

Page range: 213-214

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C 14 H 12 O 4 , orthorhombic, Pca 2 1 (no. 29), a = 22.6015(12) Å, b = 7.1344(4) Å, c = 7.3789(4) Å, V = 1189.83(11) Å 3 , Z = 4, R gt (F) = 0.065, wR ref (F 2 ) = 0.186, T = 298 K.
Open Access
Crystal structure of photochromic 1-(2-methyl-5-phenyl-3-thienyl-2-[2-methyl-5-(4-ethoxylphenyl)-3-thienyl] 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C₂₉H₂₂F₆OS₂

January 12, 2016

Congbin Fan, Yinglong Fu, Shouzhi Pu

Page range: 215-217

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C 29 H 22 F 6 OS 2 , monoclinic, P 2 1 / c , a = 6.4504(2) Å, b = 16.9752(4) Å, c = 22.8762(6) Å, β = 91.7790(10)°, V = 2503.66(12) Å 3 , Z = 4, R gt (F) = 0.0377, wR ref (F 2 ) = 0.1156, T = 100(2) K.
Open Access
Crystal structure of poly[diaquabis(μ₂-biphenyl-2,4′-dicarboxylato-κ²O:O′)tris(μ₂-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ²N:N′)dicobalt(II)] monohydrat, C₈₂H₆₄N₁₂O₁₁Co₂

February 11, 2016

Wang Zi, Xu Guo-Wang, Wang Hai-Bin, Zhou Zhi-Hang, Li Dong-Sheng

Page range: 219-221

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C 82 H 64 N 12 O 11 Co 2 , orthorhombic, Pbcn (no. 60), a = 22.286(7) Å, b = 22.725(7) Å, c = 14.056(5) Å, V = 7119(4) Å 3 , Z = 4, R gt (F) = 0.0582, wR ref (F 2 ) = 0.1634, T = 296(2) K.
Open Access
Crystal structure of 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C₁₆H₁₂N₂O₂F₂

February 11, 2016

Guang-Hui Zhang

Page range: 223-224

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C 16 H 12 F 2 N 2 O 2 , monoclinic, C 2/ c (no. 15), a = 13.2109(11) Å, b = 10.957(1) Å, c = 20.2646(18) Å, β = 101.411(9)°, V = 2875.4(4) Å 3 , Z = 8, R gt ( F ) = 0.0529, wR ref ( F 2 ) = 0.1649, T = 293 K.
Open Access
Crystal structure of poly[(di-μ₂-aqua-κ²O:O)bis(μ₅-oxalato-1:2κ²O¹; 1κ¹O²; 3:4:5κ³O³; 3κ¹O⁴)(μ₄-oxalato-1:2κ²O¹; 2:3κ²O²; 3:4κ²O³; 4:1κ²O⁴)dizinc(II)disodium(I)]

January 30, 2016

Fang-Xia Zhou

Page range: 225-226

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(C 6 H 4 Na 2 O 14 Zn 2 ) n , monoclinic, P 2 1 / c (no. 14), a = 5.8671(13) Å, b = 15.661(3) Å, c = 6.9649(15) Å, β = 100.343(4)°, V = 629.6(2) Å 3 , Z = 4, R gt ( F ) = 0.049, wR ref (F 2 ) = 0.104, T = 296(2) K.
Open Access
Crystal structure of tetraethylammonium hexachloridotantalate(V), C₈H₂₀Cl₆NTa

January 8, 2016

Renier Koen, Hendrik G. Visser, Andreas Roodt

Page range: 227-229

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C 8 H 20 Cl 6 N 1 Ta 1 , monoclinic, P 2 1 / n (no. 14), a = 7.1550(4) Å, b = 10.0090(6) Å, c = 11.6290(4) Å, β = 98.487(5)°, V = 823.7(8) Å 3 , Z = 2, R gt (F) = 0.0207, wR ref (F 2 ) = 0.0531, T = 100(2) K.
Open Access
Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C₁₃H₈Br₂N₂O₃

January 12, 2016

Yong Hong, Dushu Huang, Wei Liu, Yinghong Zhang

Page range: 231-232

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C 13 H 8 Br 2 N 2 O 3 , monoclinic, P 2 1 /c (no. 14), a = 12.794(3) Å, b = 7.2041(15) Å, c = 14.862(3) Å, β = 93.355(5)°, V = 1367.5(5) Å 3 , Z = 4, R gt (F) = 0.0398, wR ref (F 2 ) = 0.0938, T = 293 K.
Open Access
The crystal structure of 6-chloro-2,4-diphenylquinoline

January 13, 2016

Johannes Van Tonder, Hendrik G. Visser, Renier Koen

Page range: 233-235

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C 21 H 14 ClN, orthorhombic, Pca2 1 (No. 29), a = 7.6860(5) Å, b = 10.1610(5) Å, c = 19.8990(5) Å, V = 1554.1(13) Å 3 , Z = 4, R gt (F) = 0.0318, wR ref (F 2 ) = 0.0783, T = 100(2) K.
Open Access
Crystal structure of (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-5-methylphenol monohydrate, C₂₀H₁₅N₃O·H₂O

January 23, 2016

Mampotso S. Tsosane, Hendrik G. Visser, Alice Brink

Page range: 237-239

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C 20 H 15 N 3 O·H 2 O, triclinic, P 1̅ (No. 2), a = 7.066(3) Å, b = 9.996(4) Å, c = 12.873(5) Å, α = 86.007(14)°, β = 74.861(14)°, γ = 69.596(13)°, V = 822.4(6) Å 3 , Z = 2, R gt (F) = 0.0424, wR ref (F 2 ) = 0.1241, T = 100 K.
Open Access
Crystal structure of tris(3-(2-pyridyl)pyrazole)zinc(II)tetrachlorido zincate(II), C₂₄H₂₁Cl₄N₉Zn₂

February 11, 2016

Guang-Zhou Zhu, Chun-Ling Li, Ao-Lan Wang, Shi-Yu Wang, Dan-Ling Zou, Xiao-Jing Zhang, Feng-Lei Yang

Page range: 241-242

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C 24 H 21 Cl 4 N 9 Zn 2 , trigonal, R 3̅c (no. 161), a = 13.3310(13) Å, b = 13.3310(13) Å, c = 58.070(9) Å, V = 8937.3(19) Å 3 , Z = 12, R gt (F) = 0.0409, wR ref (F 2 ) = 0.1491, S = 1.006, T = 296(2) K.
Open Access
Crystal structure of 4-chloro-N,N-diethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, C₁₂H₂₀ClN₅

February 9, 2016

Hazem A. Ghabbour, Ayman El-Faham

Page range: 243-245

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C 12 H 20 ClN 5 , triclinic, P 1̅, a = 8.7253(3) Å, b = 8.9973(4) Å, c = 9.3025(4) Å, α = 90.982(2)°, β = 110.760(1)°, γ = 94.662(2)°, V = 679.78(5) Å 3 , Z = 2, R int = 0.071, wR(F 2 ) = 0.116, T = 100 K.
Open Access
The crystal structure of 4-allyl-5-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, C₁₂H₁₃N₃O

January 9, 2016

Zbigniew Karczmarzyk, Monika Pitucha, Maciej Woś, Waldemar Wysocki, Zofia Urbańczyk-Lipkowska, Maja Morawiak

Page range: 247-248

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C 12 H 13 N 3 O, monoclinic, P 2 1 / c (no. 14), a = 11.0784(3) Å, b = 14.4910(4) Å, c = 7.1565(2) Å, β = 97.668(2)°, V = 1138.61(5) Å 3 , Z = 4, R gt (F) = 0.0432, wR ref (F 2 ) = 0.1328, T = 296 K.
Open Access
Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C₁₉H₂₀N₂O₄S

January 13, 2016

Wang Meng-Xue, Fang Zheng, Guo Kai

Page range: 249-250

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C 19 H 20 N 2 O 4 S, monoclinic, P 2 1 / c , a = 18.983(4) Å, b = 5.057(1) Å, c = 20.304(4) Å, β = 106.10(3)°, V = 1872.7(7) Å 3 , Z = 4, R gt (F) = 0.0680, wR ref (F 2 ) = 0.1423, T = 293(2) K.
Open Access
Crystal structure of fac-tricarbonyl(2-(isopropylimino)methyl-5-methylphenolatido-κ²N,O)(pyridine-κN)rhenium(I), C₁₉H₁₉N₂O₄Re

January 23, 2016

Daniel Thabo Marake, Andreas Roodt, Alice Brink

Page range: 251-254

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C 19 H 19 N 2 O 4 Re, Monoclinic, P 2 1 / c (no. 14), a = 8.2805(3) Å, b = 13.7325(5) Å, c = 16.3560(6) Å, β = 92.431(2)°, V = 1858.2(2) Å 3 , Z = 4, R gt (F) = 0.0347, wR ref (F 2 ) = 0.0930, T = 100 K.
Open Access
Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C₄₄H₃₄S₄

January 12, 2016

Xu Li-Hua, Ni Zhong-Hai

Page range: 255-257

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C 44 H 34 S 2 , triclinic, P 1̅ (no.2), a = 9.638(5) Å, b = 9.851(5) Å, c = 11.615(6) Å, α = 69.149(7)°, β = 67.313(6)°, γ = 61.805(6)°, V = 876.0(8) Å 3 , Z = 1, R gt (F) = 0.0529, wR ref (F 2 ) = 0.1467, T = 296(2) K.
Open Access
Crystal structure of catena-poly-(diaqua-(μ₂-1,2-bis(4-pyridyl)ethene-κ²N:N′)-(4-methylphthalato-κ²O,O′)-cobalt(II)trihydrate, C₂₁H₂₆CoN₂O₉

January 29, 2016

Chang Xing-Hong

Page range: 259-261

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C 21 H 26 CoN 2 O 9 , orthorhombic, Pca 2 1 (no. 29), a = 16.387(4) Å, b = 12.389(3) Å, c = 11.167(3) Å, V = 2267.1(10) Å 3 , Z = 4, R gt (F) = 0.0444, wR ref (F 2 ) = 0.0839, T = 296 K.
Open Access
Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ²O,O′)-(nitrato-κO)rhenium(I), C₁₆H₂₁O₈N₂F₆Re

February 11, 2016

Amanda-Lee Manicum, Marietjie Schutte-Smith, Hendrik G. Visser, Carla Pretorius, Andreas Roodt

Page range: 263-266

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C 16 H 21 O 8 N 2 F 6 Re, triclinic, P 1̅, a = 9.161(5) Å, b = 10.283(5) Å, c = 12.974(5) Å, α = 87.739(5)°, β = 78.339(5)°, γ = 75.047(5)°, V = 1156.3(10) Å 3 , Z = 2, R gt (F) = 0.037, wR ref (F 2 ) = 0.1012, T = 100(2) K.
Open Access
Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide

January 20, 2016

Assem Barakat, Naveen Shivalingegowda, Nagamallu Renuka, Ajay Kumar Kariyappa, Muneer Abdoh, Ismail Warad, Neratur Krishnappagowda Lokanath

Page range: 267-269

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C 15 H 15 N 3 OS, monoclinic, P 2 1 / c (No. 14), a = 10.2852(5) Å, b = 10.1649(5) Å, c = 14.7694(8) Å, β = 107.442(2)°, V = 1473.12(13) Å 3 , Z = 4, R gt (F) = 0.0449, wR ref (F 2 ) = 0.1275, T = 293(2) K.
Open Access
Crystal structure of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II), [C₆H₁₁N₂]₂[CdBr₄]

January 23, 2016

Lei Gou, Dan Liu, Kun Zhao, Mao Yi-Yang

Page range: 271-272

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(C 6 H 11 N 2 ) 2 [CdBr 4 ], monoclinic, P 2 1 / c , a = 13.8943(17) Å, b = 10.2820(13) Å, c = 14.7986(18) Å, β = 94.241(3)°, V = 2108.4(5) Å 3 , Z = 4, R gt (F) = 0.0477, wR ref (F 2 ) = 0.1332, T = 273 K.
Open Access
Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C₁₆H₁₉N₃O

January 23, 2016

Ebtehal S. Al-Abdullah, Hazem A. Ghabbour, Maher M. Al-Jabal, Hoong-Kun Fun, Ali A. El-Emam

Page range: 273-275

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C 16 H 19 N 3 O, orthorhombic, Pna 2 1 (no. 33), a = 8.0251(7) Å, b = 10.1627(9) Å, c = 17.0686(16) Å, V = 1392.1(2) Å 3 , Z = 4, R gt (F) = 0.064, wR ( F 2 ) = 0.109, T = 100 K.
Open Access
Crystal structure of trans-tetraaquabis(4-(pyridin-4-ylsulfonyl)pyridine-κN)cobalt(II) diperchlorate dihydrate, C₂₀H₂₈Cl₂CoN₄O₁₈S₂

February 3, 2016

Rong Zhou, An Jie Liu, Fan Zhang

Page range: 277-279

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C 20 H 28 Cl 2 CoN 4 O 18 S 2 , monoclinic, P 2 1 / c (no. 14), a = 8.0756(2) Å, b = 17.4328(4) Å, c = 11.5696(2) Å, β = 106.477(1)°, V = 1561.88(6) Å 3 , Z = 2, R gt (F) = 0.0456, wR ref (F 2 ) = 0.1298, T = 296 K.
Open Access
Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C₂₃H₂₁N₃O₂

February 12, 2016

Bao-Qi Zhang, Lin Zhang, Heng-Qiang Zhang, Cheng-Liang Zhao, Bin Chen

Page range: 281-283

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C 23 H 21 N 3 O 2 , triclinic, P 1̅ (no. 2), a = 10.305(3) Å, b = 10.4528(16) Å, c = 10.6351(17) Å, b = 101.139(4)°, V = 983.4(4) Å 3 , Z = 2, R gt (F) = 0.0559, wR ref (F 2 ) = 0.1607, T = 295(2) K.
Open Access
Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C₁₆H₁₆FN₃OS

January 30, 2016

Ali A. El-Emam, Hazem A. Ghabbour, Omar A. Al-Deeb, Mohammed S. M. Abdelbaky, Santiago García-Granda

Page range: 285-287

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C 16 H 16 FN 3 OS, triclinic, P 1̅ (no. 2), a = 5.6885(3) Å, b = 9.4378(4) Å, c = 15.0736(7) Å, α = 84.037(4)°, β = 81.442(4)°, γ = 74.271(4)°, V = 768.56(7) Å 3 , Z = 2, R gt (F) = 0.0518, wR ref (F 2 ) = 0.1430, T = 100 K.
Open Access
Crystal structure of poly[octaaqua-tris(benzene-1,2,4,5-tetracarboxylato)tetralanthanum(III)] hexahydrate, C₃₀H₃₄La₄O₃₈

February 9, 2016

Wen-Tao Qiao, Dan Zhao, Fa-Xue Ma

Page range: 289-291

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C 30 H 34 La 4 O 38 , triclinic, P 1̅ (no. 2), a = 9.2405(1) Å, b = 10.6952(1) Å, c = 10.8307(1) Å, α = 86.239(1)°, β = 84.014(1)°, γ = 81.367(1)°, V = 1051.13(2) Å 3 , Z = 1, R gt (F) = 0.033, wR ref (F 2 ) = 0.072, T = 296 (2) K.
Open Access
Crystal structure of trans-tetraaqua-bis(4,4′-sulfonyldipyridine-κN)zinc(II) diperchlorate dihydrate, C₂₀H₂₈Cl₂ZnN₄O₁₈S₂

February 8, 2016

Rong Zhou, An Jie Liu

Page range: 293-294

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C 20 H 28 Cl 2 Zn 4 O 18 S 2 , monoclinic, P 2 1 / c (no. 14), a = 8.0835(16) Å, b = 17.389(4) Å, c = 11.576(2) Å, β = 106.59(3)°, V = 1559.4(6) Å 3 , Z = 2, R gt (F) = 0.0505, wR ref (F 2 ) = 0.1511, T = 296 K.
Open Access
Crystal structure of 4-nitro-thiophene-2-carboxylic acid, a structure with a Z′ = 4, C₅H₃NO₄S

February 3, 2016

Tian Zhang, Yuan-Yuan Jia, Xiao-Ling Sun

Page range: 295-297

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C 5 H 3 NO 4 S, monoclinic, P 2 1 / c , a = 11.7169(18) Å, b = 8.2671(12) Å, c = 28.478(4) Å, β = 93.396(2)°, Z = 16, F (000) = 1408, V = 2753.6(7) Å 3 , R gt (F) = 0.039, wR ref (F 2 ) = 0.107, T = 296 K.
Open Access
Crystal structure of dirubidium trimercury(II) tetraselenide, Rb₂Hg₃Se₄

February 9, 2016

Kang-Woo Kim

Page range: 299-300

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Rb 2 Hg 3 Se 4 , orthorhombic, Ibam (no. 72), a = 6.4183(9) Å, b = 11.626(2) Å, c = 14.454(2) Å, V = 1078.5(3) Å 3 , Z = 4, R gt (F) = 0.038, wR ref (F 2 ) = 0.142, T = 173 K.
Open Access
Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C₁₉H₂₂ClN₃OS

January 29, 2016

Monirah A. Al-Alshaikh, Hazem A. Ghabbour, Abdul-Malek S. Al-Tamimi, Mohammed S.M. Abdelbaky, Santiago Garcia-Granda, Ali A. El-Emam

Page range: 301-303

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C 19 H 22 ClN 3 OS, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.0418(2) Å, b = 10.8802(3) Å, c = 23.5506(6) Å, V = 1804.36(8) Å 3 , Z = 4, R gt (F) = 0.0413, wR ref (F 2 ) = 0.1110, T = 100 K.
Open Access
Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C₂H₁₂N₈O₈Mg

February 12, 2016

Wang Xiaojun, Shaohua Jin, Lijie Li, Shusen Chen, Qinghai Shu

Page range: 305-306

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C 2 H 12 N 8 O 8 Mg, orthorhombic, Pbcn , a = 9.858(8) Å, b = 6.852(5) Å, c = 18.276(3) Å, V = 1185.6(16) Å 3 , Z = 4, R gt ( F ) = 0.0245, wR ref ( F 2 ) = 0.0693, T = 293(2) K.
Open Access
The crystal structure of catena-poly[(μ₂-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ²N:N′)silver(I)] nitrate, C₂₀H₁₄N₅AgO₃

February 6, 2016

Guo-Wang Xu, Hong-Hong Tao, Zhong-Long Wang

Page range: 307-308

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C 20 H 14 N 5 O 3 Ag, monoclinic, C 2/ c (no. 15), a = 17.501 Å, b = 9.896 Å, c = 12.768 Å, β = 124.84°, V = 1814.8 Å 3 , Z = 4, R gt (F) = 0.0484, wR ref (F 2 ) = 0.1042, T = 293 K.
Open Access
The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C₁₄H₁₀Cl₂O₂

February 8, 2016

Wang Jianlong, Chen Lizhen

Page range: 309-310

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C 14 H 10 Cl 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 13.448(7) Å, b = 7.6635(5) Å, c = 13.638(6) Å, β = 117.14(6)°, V = 1250.7(9) Å 3 , Z = 4, R gt (F) = 0.0318, wR ref (F 2 ) = 0.0738, T = 104.8 K.
Open Access
The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C₃H₆N₄O₅

February 9, 2016

Li Jing, Wang Jianlong

Page range: 311-312

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C 3 H 6 N 4 O 5 , monoclinic, P 2 1 / n (no. 14), a = 5.8128(13) Å, b = 17.2389(14) Å, c = 7.1072(6) Å, β = 112.056(16)°, V = 660.06(16) Å 3 , Z = 4, R gt (F) = 0.0330, wR ref (F 2 ) = 0.0752, T = 103.0 K.
Open Access
Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C₁₁H₁₁NO₃

February 13, 2016

Mohamed I. Attia, Hazem A. Ghabbour, Hoong-Kun Fun

Page range: 313-314

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C 11 H 11 NO 3 , monoclinic, P 2 1 / n (no. 14), a = 7.8956(6) Å, b = 5.8304(4) Å, c = 22.0407(16) Å, β = 91.919(3)°, V = 1014.06(13) Å 3 , Z = 4, R(F) = 0.045, wR(F 2 ) = 0.125, T = 100 K.
Open Access
Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C₁₉H₁₅NO₃

February 6, 2016

Gang Li, Wei-Min Zhou, Li-Chun Zhu, Li Wang

Page range: 315-317

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C 19 H 15 NO 3 , monoclinic, P 2 1 / n , a = 9.1811(4) Å, b = 16.0396(6) Å, c = 10.1330(5) Å, β = 98.640(5)° V = 1475.27(11) Å 3 , Z = 4, R gt (F) = 0.0539, wR ref (F 2 ) = 0.1373, T = 294.29(10) K.
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Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C₁₂H₁₂ClNO₂S₃

February 6, 2016

Assem Barakat, Hazem A. Ghabbour, Abdullah Mohammed Al-Majid, Mohamed M. Said, El Sayed H. El Tamany, Hoong-Kun Fun

Page range: 319-320

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C 12 H 12 ClNO 2 S 3 , triclinic, P 1̅ (no. 2), a = 4.4065(7) Å, b = 12.326(2) Å, c = 13.399(2) Å, β = 96.032(6)°, V = 718.2(2) Å 3 , Z = 2, R gt (F) = 0.0668, wR( F 2 ) = 0.164, T = 100 K.
Open Access
Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C₂₅H₃₂Cl₂F₃N₅O₆

February 6, 2016

Assem Barakat, Hazem A. Ghabbour, Abdullah Mohammed Al-Majid, Ching-Kheng Quah, Hoong-Kun Fun

Page range: 321-323

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C 25 H 32 Cl 2 F 3 N 5 O 6 , orthorhombic, P 2 1 2 1 2 1 (no. 19) a = 11.0768(4) Å, b = 15.6620(5) Å, c = 16.6830(5) Å, V = 2894.25(16) Å 3 , Z = 4, R gt ( F ) = 0.0509, wR ( F 2 ) = 0.1498, T = 100 K.
Open Access
Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide

February 9, 2016

Yan Dong

Page range: 325-327

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C 18 H 19 NO 3 S, monoclinic, Pc (no. 7), a = 7.710(2) Å, b = 5.701(2) Å, c = 19.053(6) Å, β = 99.031(6)°, V = 827.1(4) Å 3 , Z = 2, R gt (F) = 0.0361, wR ref (F 2 ) = 0.0885, T = 296 K.
Open Access
Crystal structure of (1,10-phenanthroline-κ²N,N′)bis(thiocyanato-κN)platinum(II), C₁₄H₈N₄PtS₂

February 8, 2016

Kwang Ha

Page range: 329-330

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C 14 H 8 N 4 PtS 2 , monoclinic, P2 1 / n (no. 14), a = 7.3318(7) Å, b = 15.1300(15) Å, c = 12.5924(13) Å, β = 90.379(2)°, V = 1396.8(2) Å 3 , Z = 4, R gt (F) = 0.0349, wR ref (F 2 ) = 0.0668, T = 183(2) K.
Open Access
Crystal structure of di(μ₂-chlorido)bis[2-(2-pyridyl)phenyl-κ²N,C¹]dipalladium(II), C₂₂H₁₆Cl₂N₂Pd₂

February 8, 2016

Kwang Ha

Page range: 331-332

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C 22 H 16 Cl 2 N 2 Pd 2 , monoclinic, P 2 1 / c (no. 14), a = 7.2249(6) Å, b = 17.0538(14) Å, c = 8.4291(7) Å, β = 112.211(2)°, V = 961.50(14) Å 3 , Z = 2, R gt (F) = 0.0217, wR ref (F 2 ) = 0.0496, T = 200(2) K.
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Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr₂(C₅H₅N)₂

February 8, 2016

Kwang Ha

Page range: 333-334

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C 10 H 10 Br 2 N 2 Pd, triclinic, P 1̅ (no. 2), a = 5.6549(3) Å, b = 7.0210(3) Å, c = 7.7723(4) Å, α = 80.031(3)°, β = 84.601(2)°, γ = 89.222(2)°, V = 302.58(3) Å 3 , Z = 1, R gt (F) = 0.0309, wR ref (F 2 ) = 0.0841, T = 223(2) K.

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