Volume 233, Issue 1

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Cover and Frontmatter

January 6, 2018

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Editorial 2018

December 12, 2017

Hubert Huppertz, Guido J. Reiss

Page range: 1-2

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Crystal structure of dimethanol-bis{3-(((2-oxidonaphthalen-1-yl)methylene)amino)-2-oxo-2H-chromen-4-olato-κ³O,N:O′}dizinc(II), C₄₂H₃₀Zn₂N₂O₁₀

November 15, 2017

Qiong Su, Yan-Bin Wang

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C 42 H 30 Zn 2 N 2 O 10 , monoclinic, P 2 1 / c (no. 14), a = 8.5451(9) Å, b = 11.6897(12) Å, c = 18.4893(19) Å, β = 100.733(3)°, Z = 2, V = 1814.6(3) Å 3 , R gt ( F ) = 0.0404, wR ref ( F 2 ) = 0.1029, T = 296(2) K.
Open Access
Crystal structure of aqua-bis{[2,6-dimethyl-N-(pyridin-2-ylmethylene)aniline-κ²N,N′]}zinc(II) triflate monohydrate [ZnC₂₉H₃₁N₄O]CF₃SO₃⋅H₂O

October 27, 2017

Eric M. Njogu, Bernard Omondi, Vincent O. Nyamori

Page range: 7-8

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Monoclinic, C 2/ c (no. 15), a = 13.8335(3) Å, b = 15.9222(3) Å, c = 17.3099(3) Å, β = 105.655(1)°, V = 3671.24(12) Å 3 , Z = 4, R gt ( F ) = 0.0301, wR ref ( F 2 ) = 0.0806, T = 100 K.
Open Access
Crystal structure of (E)-1-(4-{[(E)-4-Diethylamino-2-hydroxybenzene methylene]amino}phenyl)ethanone methoxy oxime, C₂₀H₂₇ClN₃O₃

November 8, 2017

Peng-Peng Li, Li Zhao, Ji-Xing Zhao, Zhao-Bin Zhu

Page range: 9-11

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C 20 H 27 ClN 3 O 3 , monoclinic, P 2 1 / n (no. 14), a = 10.7351(5) Å, b = 14.1177(6) Å, c = 14.3355(9) Å, β = 101.284(6)°, Z = 4, V = 2130.6(2) Å 3 , R gt ( F ) = 0.0569, wR ref ( F 2 ) = 0.1767, T = 293(2) K.
Open Access
Crystal structure of (E)-1-(4-(((E)-4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one oxime, C₁₉H₂₃N₃O₂

November 15, 2017

Peng-Peng Li, Li Zhao, Ji-Xing Zhao, Zhao-Bin Zhu

Page range: 13-15

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C 19 H 23 N 3 O 2 , monoclinic, P 2 1 / n (no. 14), a = 17.8421(15) Å, b = 9.4778(9) Å, c = 22.116(2) Å, β = 108.230(10)°, Z = 8, V = 3552.2(6) Å 3 , R gt ( F ) = 0.0649, wR ref ( F 2 ) = 0.1506, T = 293(2) K.
Open Access
Crystal structure of poly[(μ₂-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ²N:N′)-(μ₂-4,4′-sulfonyldibenzoato-κ²O:O′)zinc(II)], C₄₀H₃₄N₄O₆SZn

November 22, 2017

Chunying Xu, Jili Li, Minghui Li, Lu Cui

Page range: 17-19

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C 40 H 34 N 4 O 6 SZn, triclinic P 1̅ (no. 2), a = 11.157(2) Å, b = 11.867(2) Å, c = 14.141(3) Å, α = 75.30(3)°, β = 86.09(3)°, γ = 84.91(3)°, V = 1801.8(6) Å 3 , Z = 2, R gt ( F ) = 0.0419, ω R ref ( F 2 ) = 0.1063, T = 293(2) K.
Open Access
Crystal structure of catena-poly[diaqua(μ₃-pyrazine-2,3-dicarboxylato-κ⁴O,N:O′:O′′)zinc(II)] 1.25 hydrate, C₆H_8.5N₂O_7.25Zn

December 28, 2017

Deng Linxin, Li Song, Li Xingyu

Page range: 21-22

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C 6 H 8.5 N 2 O 7.25 Zn, triclinic, P 1̅ (no. 2), a = 6.4463(5) Å, b = 8.4180(7) Å, c = 9.8370(8) Å, α = 66.130(1)°, β = 79.537(1)°, γ = 81.153(2)°, V = 478.11(7) Å 3 , Z = 2, R gt (F) = 0.0292, w R ref (F 2 ) = 0.0782, T = 298 K.
Open Access
Crystal structure of fac-(acetylacetonato-κ²O,O′)tricarbonyl(tri-m-tolyl phosphane-κP)rhenium(I), C₂₉H₂₈O₅PRe

December 28, 2017

Amanda-Lee Manicum, Orbett Alexander, Marietjie Schutte-Smith, Hendrik G. Visser

Page range: 23-25

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C 29 H 28 O 5 PRe, monoclinic, P 2 1 / n (no. 14), a = 10.548(5) Å, b = 22.996(5) Å, c = 11.022(5) Å, β = 98.011(5)°, V = 2647.4(18) Å 3 , Z = 4, R gt ( F ) = 0.0306, wR ref (F 2 ) = 0.0911, T = 100 K.
Open Access
Crystal structure of bis(μ₂-methanolato-κ²O:O)-bis(methanol-κ¹O)-bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ³O,O′,N}dichromium(III), C₃₈H₃₆Cr₂N₂O₁₄

December 22, 2017

Hao-Ran Jia, Jing Li, Yin-Xia Sun

Page range: 27-29

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C 38 H 36 Cr 2 N 2 O 14 , triclinic, P 1̄, a = 8.2863(13) Å, b = 10.4324(13) Å, c = 12.152(3) Å, α = 113.420(13)°, β = 93.326(13)°, γ = 107.857(12)°, Z = 1, V = 897.7(2) Å 3 , R gt ( F ) = 0.0454, wR ref ( F 2 ) = 0.1112, T = 293(2) K.
Open Access
Crystal structure of poly[aqua-(μ₃-pyridine-3,5-dicarboxylato-κ⁵O,O′:O′′,O′′′,N)zinc(II)], C₇H₇NO₆Zn

November 21, 2017

Dong-Mi Li, Xue-Li Xu, Shi-Hui Li

Page range: 31-32

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C 7 H 7 NO 6 Zn, monoclinic, C 2/ c (no. 15), a = 10.009(10) Å, b = 11.907(12) Å, c = 7.328(7) Å, β = 105.050(12)°, V = 843.3(15) Å 3 , Z = 2, R gt ( F ) = 0.0681, wR ref ( F 2 ) = 0.1757, T = 296(2) K.
Open Access
Crystal structure of bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ²O,N)copper(II), C₅₂H₄₂CuN₄O₄

December 29, 2017

Jing Li, Bin Yu, Hao-Ran Jia, Yin-Xia Sun

Page range: 33-35

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C 52 H 42 CuN 4 O 4 , monoclinic, I 12/ c 1 (no. 15), a = 21.8573(13) Å, b = 5.8605(4) Å, c = 33.683(2) Å, β = 97.428(5)°, Z = 4, V = 4278.4(5) Å 3 , R gt ( F ) = 0.0554, wR ref ( F 2 ) = 0.1255, T = 293(2) K.
Open Access
Crystal structure of bis{5-(diethylamino)-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ²O,N}cobalt(II), C₄₀H₃₈CoN₄O₆

December 22, 2017

Hao-Ran Jia, Jing Li, Yin-Xia Sun

Page range: 37-39

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C 40 H 38 CoN 4 O 6 , monoclinic, C 2/ c (no. 15), a = 25.848(2) Å, b = 9.7537(5) Å, c = 13.8302(11) Å, β = 93.760(7)°, Z = 4, V = 3479.3(4) Å 3 , R gt ( F ) = 0.0770, wR ref ( F 2 ) = 0.1824, T = 293 K.
Open Access
Crystal structure of diaqua-bis(N,N-dimethylformamide-κ¹O)-bis{3-((5-chloro-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ⁴N,O,O′:O′}dinickel(II), C₃₈H₃₄Ni₂Cl₂N₄O₁₂

December 22, 2017

Jing Li, Hao-Ran Jia, Jian-Qiang Guo, Yin-Xia Sun

Page range: 41-43

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C 38 H 34 Ni 2 Cl 2 N 4 O 12 , monoclinic, C 2/ c (no. 15), a = 17.867(3) Å, b = 9.170(6) Å, c = 24.651(5) Å, β = 110.837(2)°, Z = 4, V = 3775(3) Å 3 , R gt ( F ) = 0.0323, wR ref ( F 2 ) = 0.1078, T = 293(2) K.
Open Access
Crystal structure of tetrakis(methanol-κO)bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ³O,N,O′}bicobalt(II), C₃₈H₃₈Co₂N₂O₁₄

November 15, 2017

Hao-Ran Jia, Jing Li, Yin-Xia Sun

Page range: 45-47

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C 38 H 38 Co 2 N 2 O 14 , monoclinic, P 2 1 / n (no. 14), a = 9.7459(5) Å, b = 7.9026(7) Å, c = 24.0622(15) Å, β = 100.260(5)°, Z = 2, V = 1823.6(2) Å 3 , R gt ( F ) = 0.0576, wR ref ( F 2 ) = 0.1201, T = 293(2) K.
Open Access
Crystal structure of (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate, C₈H₁₇NO₃

November 2, 2017

Saba Alapour, Sizwe J. Zamisa, Neil A. Koorbanally, Deresh Ramjugernath

Page range: 49-50

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C 8 H 17 NO 3 , monoclinic, P 2 1 (no. 4), a = 10.4369(3) Å, b = 9.4976(2) Å, c = 10.8153(3) Å, β = 114.911(1)°, V = 972.33(4) Å 3 , Z = 4, R gt ( F ) = 0.0287, wR ref ( F 2 ) = 0.0733, T = 173(2) K.
Open Access
Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium catena-poly[{5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ²O,O′}-(μ₂-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ⁴O,O′:O′′,O′′′)lead(II)], C₅₂H₄₀N₂O₉Pb

November 15, 2017

Wei Song, Shi-Hui Li, Xue-Li Xu

Page range: 51-53

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C 52 H 40 N 2 O 9 Pb, triclinic, P 1̅ (no. 2), a = 10.3025(4) Å, b = 14.1740(9) Å, c = 16.0428(9) Å, α = 115.835(6)°, β = 97.680(4)°, γ = 90.493(4)°, V = 2083.7(2) Å 3 , Z = 2, R gt ( F ) = 0.0342, wR ref ( F 2 ) = 0.0612, T = 293(2) K.
Open Access
Crystal structure of catena-poly[diaqua-(μ₂-5-methylisophthalato-κ²O:O′)(μ₂-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ²N:N′)], NiC₂₁H₂₂O₆N₆

December 22, 2017

Guo Hui, Chang Xin-Hong, Qin Hao-Yue

Page range: 55-56

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NiC 21 H 22 O 6 N 6 , orthorhombic, Pnma , a = 18.214(3) Å, b = 20.934(3) Å, c = 5.5296(8) Å, V = 2108.3(5) Å 3 , Z = 4, R gt ( F ) = 0.0279, wR ref ( F 2 ) = 0.798, T = 296(2) K.
Open Access
Crystal structure of the salt tris(guanidinium) tris(tetrapropylammonium) bis(pyridine-2,4,6-tricarboxylate) – water (1/10), C₅₅H₁₂₆N₁₄O₂₂

December 1, 2017

Yanbing Zai, Linlin Zhu, Xiangxiang Wu

Page range: 57-60

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C 55 H 126 N 14 O 22 , monoclinic, Cc (no. 9), a = 44.1382(7) Å, b = 8.18540(10) Å, c = 21.8699(3) Å, β = 109.2070(10)°, V = 7461.53(19) Å 3 , Z = 4, R gt ( F ) = 0.0418, wR ref ( F 2 ) = 0.1187, T = 296 K.
Open Access
Crystal structure of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-chromen-4-one, C₁₉H₁₈O₈

November 16, 2017

Iván Brito, Jorge Bórquez, Mario Simirgiotis, Alejandro Cárdenas

Page range: 61-64

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C 19 H 18 O 8 , monoclinic, P 2 1 / c (no. 14), a = 12.689(2) Å, b = 20.321(4) Å, c = 7.0820(13) Å, β = 105.368(13)°, V = 1760.8(6) Å 3 , Z = 4, R gt = 0.0662, wR ref ( F 2 ) = 0.1788, T = 295 K.
Open Access
Crystal structure of poly{[μ₂-1,1′-(sulfonylbis(4,1-phenylene))bis(2-methyl-1H-imidazole)-κ²N:N′][μ₂-4,4′-oxydibenzoato-κ²O:O′]cobalt(II)} hemihydrate, C₃₄H₂₇N₄O_7.5SCo

November 16, 2017

Wei Li, Xuan Sun, Jian Suo, Yanpeng Xing, Daguang Wang

Page range: 65-66

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C 34 H 27 N 4 O 7.5 SCo, monoclinic, C c (no. 9), a = 23.7684(16) Å, b = 13.5683(10) Å, c = 10.0223(7) Å, β = 94.405(2)° V = 3222.6(4) Å 3 , Z = 4, R gt ( F ) = 0.0427, wR ref ( F 2 ) = 0.0815, T = 293(2) K.
Open Access
The crystal structure of 25,27-(2,2′-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate)-26,28-dihydroxycalix[4]arene — dichloromethane (1/1), C₃₆H₃₂Cl₂O₄S₅

October 26, 2017

Lian-Wei Liu, Ji-Yan Zhong, Bang-Tun Zhao

Page range: 67-68

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C 36 H 32 Cl 2 O 4 S 5 , orthorhombic, Pccn (no. 56), a = 15.4426(11) Å, b = 17.4623(13) Å, c = 25.9153(19) Å, V = 6988.4(9) Å 3 , Z = 8, R gt ( F ) = 0.0590, wR ref ( F 2 ) = 0.1958, T = 291(2) K.
Open Access
The crystal structure of 1,2-bis(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)ethane, C₁₆H₁₂N₆O₂

November 15, 2017

Fei Liu, Huang Fang, Fang Zhang, Qifan Chen

Page range: 69-70

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C 16 H 12 N 6 O 2 , monoclinic, P 2 1 / c (no. 14), a = 4.791(5) Å, b = 28.156(5) Å, c = 5.747(5) Å, β = 109.941(5)°, V = 728.8(10) Å 3 , Z = 2, R gt ( F ) = 0.0407, wR ref ( F 2 ) = 0.0998, T = 293(2) K.
Open Access
Crystal structure of 1-benzyl-3-((4-bromophenyl)amino)-4-(4-methoxyphenyl)-1H-pyrrole-2,5-dione, C₂₄H₁₉BrN₂O₃

November 22, 2017

Meng Lan Lv

Page range: 71-72

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C 24 H 19 BrN 2 O 3 , monoclinic, P 1̅ (no. 2), a = 9.1003(5) Å, b = 9.9785(6) Å, c = 12.9831(6) Å, α = 74.611(5)°, β = 76.063(4)°, γ = 64.264(5)°, V = 1013.17(10) Å 3 , Z = 2, R gt ( F ) = 0.0467, wR ref ( F 2 ) = 0.1259, T = 294 K.
Open Access
Crystal structure of bis(2-((allylcarbamothioyl)imino)-4-methylthiazol-3-ido-κ²N,S)palladium(II), C₁₆H₂₀N₆PdS₄

December 5, 2017

Suhair M.S. Jambi

Page range: 73-74

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C 16 H 20 N 6 PdS 4 , monoclinic, C 2/ c (no. 15), a = 13.2801(8) Å, b = 18.5771(8) Å, c = 10.2577(5) Å, β = 121.906(2)°, V = 2148.29(19) Å 3 , Z = 4, R gt ( F ) = 0.0300, WR ref ( F 2 ) = 0.0721, T = 293 K.
Open Access
Crystal structure of pyrimidine-2,5-dicarboxylic acid 1.5 hydrate, C₁₂H₁₄N₄O₁₁

November 8, 2017

Chun-Mei Guo, Xiu-Ying Song, Wan-Ming Xiong, Nian-Qian Kang, Xu-Liang Nie

Page range: 75-76

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C 12 H 14 N 4 O 11 , orthorhombic, C 222 1 (no. 20), a = 4.7425(3) Å, b = 12.5852(9) Å, c = 26.5080(18) Å, V = 1582.14(19) Å 3 , Z = 4, R gt ( F ) = 0.0377, wR ref ( F 2 ) = 0.1064, T = 296(2) K.
Open Access
Crystal structure of trans-diaqua-bis(1H-pyrazole-3-carboxylato-κ²N,O)manganese(II), C₈H₁₀N₄O₆Mn

December 5, 2017

Hui Wang, Yang Gao, Lei Lü

Page range: 77-78

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C 8 H 10 N 4 O 6 Mn, monoclinic, P 2 1 / c (no. 14), a = 5.1531(5) Å, b = 11.7052(11) Å, c = 9.4154(7) Å, β = 95.1540(10)°, V = 565.62(9) Å 3 , Z = 2, R gt ( F ) = 0.0227, wR ref ( F 2 ) = 0.0611, T = 298 K.
Open Access
Crystal structure of catena-(μ₃-5-bromoisophthatato-κO,O′: O′′,O′′′′)-(1,2-bis(imidazol-1-yl)ethane-κN:N′)cobalt(II), C₁₆H₁₃CoN₄O₄Br

November 2, 2017

Min-Le Han, San-Tai Wang, Zhong-Qi Li

Page range: 79-81

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C 16 H 13 CoN 4 O 4 Br, orthorhombic, Pnna (no. 52), a = 16.921(2) Å, b = 19.211(2) Å, c = 10.2928(12) Å, V = 3345.9(7) Å 3 , Z = 8, R gt ( F ) = 0.0335, wR ref ( F 2 ) = 0.0713, T = 296 K.
Open Access
Investigation of the compound La₅Zn_2−xPb_{1 + x} (x = 0.20–0.32)

November 8, 2017

Igor Oshchapovsky, Volodymyr Pavlyuk, Grygoriy Dmytriv

Page range: 83-84

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La 5 Zn 2−x Pb 1 + x ( x = 0.20–0.32), tetragonal, I 4/ mcm (no. 140), a = 8.1673(12) Å, c = 15.367(3) Å, V = 1025.1(3) Å 3 , Z = 4, R gt ( F ) = 0.0261, wR ref ( F 2 ) = 0.0441, T = 293 K.
Open Access
Crystal structure of (OC-6-13)-diaqua-bis(3,5-di(pyridin-3-yl)-4H-1,2,4-triazol-4-amine-κ¹N)-bis(dicyanamido-κ¹N)zinc(II) tetrahydrate, ZnC₂₈H₃₂N₁₈O₆

December 5, 2017

Xue-Yuan Wang, Xia Zhu, Xin Lu, Jian-Qiao Wang

Page range: 85-86

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ZnC 28 H 32 N 18 O 6 , monoclinic, P 2 1 / c (no. 14), a = 10.472(2) Å, b = 21.668(4) Å, c = 8.1282(15) Å, β = 105.763(5)°, V = 1775.0(6) Å 3 , Z = 2, R gt ( F ) = 0.0459, wR ref ( F 2 ) = 0.1133, T = 298 K.
Open Access
Crystal structure of Ga_0.62(3)Sb_0.38(3)Pd₃

November 21, 2017

Oksana Matselko, Ulrich Burkhardt, Roman Gladyshevskii, Yuri Grin

Page range: 87-88

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Ga 0.62(3) Sb 0.38(3) Pd 3 , tetragonal, P 4/ mbm (no. 127), a = 5.5036(2) Å, c = 7.9990(3) Å, V = 242.29(3) Å 3 , Z = 4, R p = 0.0168, R wp = 0.0291, T = 295 K.
Open Access
Crystal structure of Ga_0.47(1)Sb_0.53(1)Pd₂

November 21, 2017

Oksana Matselko, Ulrich Burkhardt, Yuri Grin, Roman Gladyshevskii

Page range: 89-90

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Ga 0.47(1) Sb 0.53(1) Pd 2 , hexagonal, P 6̄2 m (no. 189), a = 7.0374(3) Å, c = 3.3194(2) Å, V = 142.37(2) Å 3 , Z = 3, R p = 0.0269, R wp = 0.0417, T = 295 K.
Open Access
A derivative of the Corey lactone – crystal structure of (3aR,4S,5R,6aS)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, C₂₁H₃₀O₅Si

December 16, 2017

Kun-Yan Wang, Pengfei Wei, Xiao-Li Yang

Page range: 91-92

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C 21 H 30 O 5 Si, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.5017(6) Å, b = 11.4370(7) Å, c = 22.2285(12) Å, V = 2161.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0499, wR ref ( F 2 ) = 0.0972, T = 296(2) K.
Open Access
A Corey lactone: crystal structure of (3aR,4R,5R,6aS)-5-benzoyloxy-4(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one, C₁₅H₁₆O₅

December 22, 2017

Kun-Yan Wang, Pengfei Wei, Xiao-Li Yang

Page range: 93-94

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C 15 H 16 O 5 , monoclinic, P 2 1 , a = 7.9178(8) Å, b = 10.8496(12) Å, c = 7.9804(8) Å, β = 95.491(3)° V = 682.41(12) Å 3 , Z = 2, R gt ( F ) = 0.0646, wR ref ( F 2 ) = 0.1323, T = 296(2) K.
Open Access
Hydrothermal synthesis and crystal structure of poly[aqua-(μ₂-1,3-bis(4-pyridyl)propane-κ²N:N′)-(μ₂-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylato-κ²O:O′)manganese(II) hydrate, C₂₂H₂₀Cl₆N₂O₆Mn

December 14, 2017

Li Gui-Lian, Shen Jia, He Yu-Ying

Page range: 95-97

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C 22 H 20 Cl 6 N 2 O 6 Mn, monoclinic, P 2 1 / c (no. 14), a = 12.0080(7) Å, b = 14.9289(8) Å, c = 15.2997(8) Å, β = 103.590(2)°, V = 2665.9(3) Å 3 , Z = 4, R gt ( F ) = 0.0428, wR ref ( F 2 ) = 0.1147, T = 296 K.
Open Access
Crystal structure of 2-acetylpyrrole S-methylthiosemicarbazonium hydroiodide, C₈H₁₃IN₄S

October 27, 2017

Hao Wu, Kai Kou, Shu-Yang Liu, Yuan Wang

Page range: 99-100

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C 8 H 13 IN 4 S, monoclinic, P 2 1 / n (no. 14), a = 5.9563(4) Å, b = 12.8592(8) Å, c = 16.1795(10) Å, β = 99.450(1)°, V = 1222.42(14) Å 3 , Z = 4, R gt ( F ) = 0.0228, wR ref ( F 2 ) = 0.0535, T = 296 K.
Open Access
Crystal structure of [N,N-bis((pyrrol-2-yl)ethylidene)butane-1,4-diamine-κ⁴N,N′,N′′,N′′′]-nickel(II), C₁₆H₂₀N₄Ni

December 16, 2017

Pan-Dong Mao, Xiao-Lei Zhao, Qing-Wen Yang, Miao Yang, Yuan Wang

Page range: 101-102

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C 16 H 20 N 4 Ni, monoclinic, P 2 1 / n (no. 14), a = 7.6578(10) Å, b = 17.184(2) Å, c = 11.6581(15) Å, β = 100.837(2)°, V = 1506.7(3) Å 3 , Z = 4, R gt ( F ) = 0.0356, wR ref ( F 2 ) = 0.0945, T = 296(2) K.
Open Access
Crystal structure of poly[aqua-(μ₅-2,5-dicarboxybenzoato-κ⁵O:O:O′:O′′:O′′′)sodium(I)], C₉H₇NaO₇

December 16, 2017

Cong-Kui Nie, Dan Zhao, Ye Tian

Page range: 103-104

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C 9 H 7 NaO 7 , triclinic, P 1̅ (no. 2), a = 7.0533(7) Å, b = 7.1238(7) Å, c = 10.5664(10) Å, α = 87.466(1)°, β = 83.003(1)°, γ = 66.690(1)°, V = 483.95(8) Å 3 , Z = 2, R gt ( F ) = 0.0361, wR ref ( F 2 ) = 0.0936, T = 296(2) K.
Open Access
Crystal structure of bis(N′-((1H-pyrrol-2-yl)methylene)-1-methylthio-methanethiohydrazido-κ²S,N)nickel(II), C₁₄H₁₆N₆NiS₄

December 12, 2017

Long Lin, Ling-Hao Zhu, Yuan Wang

Page range: 105-106

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C 14 H 16 N 6 NiS 4 , monoclinic, P 2 1 / c (no. 14), a = 8.817(16) Å, b = 10.172(17) Å, c = 10.043(17) Å, β = 97.77(4)°, V = 892(3) Å 3 , Z = 2, R gt ( F ) = 0.0788, wR gt (F 2 ) = 0.1962, T = 296 K.
Open Access
Crystal structure of 1-(4-((benzo[d][1,3]dioxol-5-yloxy)methyl)phenethyl)-4-(3-chlorophenyl) piperazin-1-ium chloride, C₂₆H₂₈Cl₂N₂O₃

December 9, 2017

Hong Chen, Hui-Xia Jia, Qi-Tai Xu

Page range: 107-109

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C 26 H 28 Cl 2 N 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 13.422(3) Å, b = 7.0011(14) Å, c = 26.249(5) Å, β = 101.06(3)°, V = 2420.8(9) Å 3 , Z = 4, R gt ( F ) = 0.0516, wR ref ( F 2 ) = 0.1370, T = 296 K.
Open Access
Crystal structure of 2-(4-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)benzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, C₂₆H₂₆FN₃O₃S – a saccharin dervative

November 8, 2017

Hong Chen, Hui-Xia Jia

Page range: 111-113

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C 26 H 26 F 1 N 3 O 3 S 1 , triclinic, P 1̅ (no. 2), a = 7.0252(14) Å, b = 9.3017(19) Å, c = 19.388(4) Å, α = 97.80(3)°, β = 97.77(3)°, γ = 106.84(3)°, V = 1180.9(5) Å 3 , Z = 2, R gt ( F ) = 0.0729, wR ref ( F 2 ) = 0.1854, T = 296.15 K.
Open Access
Crystal structure of 3-(2-dimethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C₁₂H₁₅N₃OS

December 9, 2017

Xian-Jie Mao, Ling-Ling Yan, Hong-Xin Cai, Yuan Wang

Page range: 115-116

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C 12 H 15 N 3 OS, monoclinic, P 2 1 / c (no. 14), a = 7.9840(18) Å, b = 11.331(3) Å, c = 14.428(3) Å, β = 105.702(4)°, V = 1256.5(5) Å 3 , Z = 4, R gt ( F ) = 0.0639, wR ref ( F 2 ) = 0.1293, T = 296K.
Open Access
Crystal structure of 3-(3-dimethylaminopropyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C₁₃H₁₇N₃OS

December 16, 2017

Peng Yang, Ling-Ling Yan, Hong-Xin Cai

Page range: 117-118

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C 13 H 17 N 3 OS, monoclinic, P 2 1 / c (no. 14), a = 9.3721(9) Å, b = 15.3783(14) Å, c = 9.1684(9) Å, β = 96.698(2)°, V = 1312.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0371, wR ref ( F 2 ) = 0.0826, T = 296 K.
Open Access
The crystal structure of trans-tetraaqua-bis(p-tolylsulfinato-κO)calcium(II)), C₁₄H₂₂O₈S₂Ca

October 27, 2017

Tai Xi-Shi, Li Peng-Fei

Page range: 119-120

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C 14 H 22 O 8 S 2 Ca, monoclinic, P 2 1 / c (no. 14), a = 16.349(3) Å, b = 5.0828(10) Å, c = 12.183(2) Å, β = 109.29(3)°, V = 955.5(3) Å 3 , Z = 2, R gt ( F ) = 0.0376, wR ref ( F 2 ) = 0.1129, T = 293(2)K.
Open Access
The crystal structure of (E)-N′-(pyridin-2-ylmethylene)pyrazine-2-carbohydrazide, C₁₁H₉N₅O

December 5, 2017

Tai Xi-Shi, Li Peng-Fei

Page range: 121-122

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C 11 H 9 N 5 O, monoclinic, P 2 1 / n (no. 14), a = 14.203(3) Å, b = 11.036(2) Å, c = 14.303(3) Å, β = 109.91(3)° V = 2107.9(7) Å 3 , Z = 8, R gt ( F ) = 0.0381, wR ref ( F 2 ) = 0.1119, T = 293(2) K.
Open Access
Crystal structure of (E)-3-(pyren-1-yl)-1-(pyridin-4-yl)prop-2-en-1-one, C₂₄H₁₅NO

November 2, 2017

Qiu-Ying Huang, Hong-Ying Wang, Su-Juan Ren, Xiang-Ru Meng

Page range: 123-124

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C 24 H 15 NO, monoclinic, P 2 1 / n (no. 14), a = 10.3161(3) Å, b = 5.53330(10) Å, c = 29.2019(7) Å, β = 97.341(1)°, V = 1653.24(7) Å 3 , Z = 4, R gt ( F ) = 0.0423, wR ref ( F 2 ) = 0.1344, T = 294(2) K.
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Crystal structure of catena-poly[diaqua-(μ₂-tartrato-κ⁴O,O′:O′′,O′′′)cobalt(II)], C₄H₈CoO₈

December 14, 2017

Sisi Feng, Haixia Ma, Miaoli Zhu

Page range: 125-126

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C 4 H 8 CoO 8 , monoclinic, P 2 1 / c (no. 14), a = 5.7952(3) Å, b = 13.0110(7) Å, c = 10.2682(6) Å, β = 98.8320(10)°, V = 765.06(7) Å 3 , Z = 4, R gt ( F ) = 0.0207, ωR ref ( F 2 ) = 0.0499, T = 301(2) K.
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Crystal structure of 4-chloro-2-methyl-6-(4-(trifluoromethoxy)phenyl)pyrimidine, C₁₂H₈ClF₃N₂O

November 16, 2017

Jean-Luc Bertrand, Cristian O. Salas, Iván Brito

Page range: 127-128

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C 12 H 8 ClF 3 N 2 O, tetragonal, I 4̅ (no. 82), a = 23.280(6) Å, c = 4.7191(15) Å, V = 2557.6(15) Å 3 , Z = 8, R gt = 0.0700, wR ref ( F 2 ) = 0.1933, T = 296(2) K.
Open Access
Crystal structure of 1-(4-fluorophenyl)-N-(5-((triphenylstannyl)thio)thiophen-2-yl)methanimine, C₂₇H₂₀FN₃S₂Sn

November 8, 2017

Fankun Meng, Junying Jia, Hongsheng Liu

Page range: 129-130

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C 27 H 20 FN 3 S 2 Sn, monoclinic, P 2 1 / n (no. 14), a = 15.631(4) Å, b = 9.865(3) Å, c = 17.256(3) Å β = 108.335(11)°, V = 2525.8(10) Å 3 , Z = 4, R gt ( F ) = 0.0398, wR ref ( F 2 ) = 0.0917, T = 298 K.
Open Access
Crystal structure of methyl (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate, C₁₀H₈FN₃OS₂

December 14, 2017

Xin-Hong Li, Zhao-Xian Qin, Sheng-Li Cao

Page range: 131-132

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C 10 H 8 FN 3 OS 2 , monoclinic, P 2 1 / c (no. 14), a = 6.2909(2) Å, b = 7.4103(2) Å, c = 24.7079(6) Å, β = 97.396(2)°, V = 1142.24(6) Å 3 , Z = 4, R gt ( F ) = 0.0375, wR ref ( F 2 ) = 0.1014, T = 293 K.
Open Access
Crystal structure of tert-butyl (Z)-4-(2-(5-methoxy-3-(2-((methylthio)carbonothioyl)hydrazono)-2-oxoindolin-1-yl)ethyl)piperazine-1-carboxylate, C₂₂H₃₁N₅O₄S₂

November 16, 2017

Xin-Hong Li, Zhao-Xian Qin, Sheng-Li Cao

Page range: 133-135

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C 22 H 31 N 5 O 4 S 2 , triclinic, P 1̅ (no. 2), a = 9.0366(1) Å, b = 10.3253(2) Å, c = 14.9997(2) Å, α = 72.790(1)°, β = 82.301(1)°, γ = 71.080(1)°, V = 1263.54(3) Å 3 , Z = 2, R gt (F) = 0.0443, wR ref (F 2 ) = 0.1294, T = 271 K.
Open Access
The crystal structure of (E)-2-((2-(o-tolylcarbamothioyl)hydrazono)methyl)benzoic acid, C₁₆H₁₅N₃O₂S

December 14, 2017

Tai Xi-Shi, Li Peng-Fei, Liu Qing-Yun

Page range: 137-138

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C 16 H 15 N 3 O 2 S, triclinic, P 1̄ (no. 2), a = 7.6394(15) Å, b = 9.2445(18) Å, c = 11.428(2) Å, α = 98.75(3)°, β = 106.34(3)°, γ = 91.18(3)°, V = 763.7(3) Å 3 , Z = 2, R gt ( F ) = 0.0548, wR ref ( F 2 ) = 0.1411, T = 293(2) K.
Open Access
Crystal structure of 2-chloro-1,3-di-tert-pentyl-4,4-diphenyl-1,3,2λ³,4-diazaphosphasiletidine, C₂₂H₃₂ClN₂PSi

November 8, 2017

Dennis Mo, Marcel Serio, Walter Frank

Page range: 139-142

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C 22 H 32 ClN 2 PSi, triclinic, P 1̅ (no. 2), a = 11.8482(3) Å, b = 12.8044(3) Å, c = 15.6562(4) Å, α = 77.694(2)°, β = 84.144(2)°, γ = 89.029(2)°, V = 2308.48(10) Å 3 , Z = 4, R gt ( F ) = 0.0527, wR ref ( F 2 ) = 0.1148, T = 173(2) K.
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Crystal structure of tetramethyl 5,5′-(buta-1,3-diyne-1,4-diyl)diisophthalate, C₂₄H₁₈O₈

December 14, 2017

Xinhua Lu, Jin Hu, Caixia Zhu

Page range: 143-144

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C 24 H 18 O 8 , monoclinic, P 2 1 / n (no. 14), a = 3.9930(7) Å, b = 26.483(5) Å, c = 10.3307(19) Å, β = 98.136(4)°, V = 1081.5(3) Å 3 , Z = 2, R gt (F) = 0.0606, wR ref (F 2 ) = 0.1986, T = 293(2) K.
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Crystal structural of 2-amino-4-(4-methoxyphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C₁₉H₂₀N₂O₃

October 27, 2017

Yuanyuan Yu

Page range: 145-146

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C 19 H 20 N 2 O 3 , monoclinic, C 2/ c (no. 15), a = 30.474(9) Å, b = 9.331(2) Å, c = 26.269(7) Å, β = 112.591(3)°, V = 6897(3) Å 3 , Z = 16, R gt ( F ) = 0.0462, wR ref ( F 2 ) = 0.1379, T = 293 K.
Open Access
Crystal structure of 1,3,5-tris((trimethylsilyl)methyl)-1,3,5-triazinane-2,4,6-trione, C₁₅H₃₃N₃O₃Si₃

November 8, 2017

Ya-Yan Tong, Bo Xu, Guang-Da Yin, Rong-Fei Song, Li-Bing Guo, Pei-Zheng Zhao

Page range: 147-148

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C 15 H 33 N 3 O 3 Si 3 , trigonal, R 3̄ (no. 148), a = 17.8622(4) Å, c = 12.5153(3) Å, V = 3458.13(14) Å 3 , Z = 6, R gt ( F ) = 0.0689, wR ref ( F 2 ) = 0.1876, T = 293 K.
Open Access
The crystal structure of bis(2-benzoyl-5-hydroxylphenolato-κ²O,O′)copper(II), C₂₆H₁₈CuO₆

November 16, 2017

Hui Wang, Zi-Jing Xiao

Page range: 149-150

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Cu(C 13 H 9 O 3 ) 2 , tetragonal, I 4 1 / a (no. 88), a = 14.2364(4) Å, c = 20.5410(7) Å, V = 4163.1(3) Å 3 , Z = 8, R gt ( F ) = 0.0482, wR ref ( F 2 ) = 0.1476, T = 293 K.
Open Access
Crystal structure of 2,6-bis(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)pyridine – 1-ethyl-3-methyl-1H-imidazol-3-ium bromide (1/1), C₂₃H₂₂N₁₃Br

December 9, 2017

Zhiqiang Zhen

Page range: 151-152

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C 23 H 22 N 13 Br, triclinic, P 1̅ (no. 2), a = 9.255(6) Å, b = 9.819(6) Å, c = 14.497(9) Å, α = 105.186(7)°, β = 90.030(7)°, γ = 102.228(7)°, V = 1240.3(13) Å 3 , Z = 2, R gt ( F ) = 0.0434, wR ref ( F 2 ) = 0.1116, T = 296(2) K.
Open Access
The crystal structure of (E)-N-benzyl-N′-benzylidene-4-methylbenzenesulfonohydrazide, C₂₁H₂₀N₂O₂S

November 21, 2017

Xiao-Yu Guan, Liang-Dong Zhang, Zhang-Qin Liu, Xin Guo, Xuebing Ma

Page range: 153-154

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C 21 H 20 N 2 O 2 S, monoclinic, P 2 1 / c (no. 14), a = 19.436(3) Å, b = 6.1396(6) Å, c = 16.362(3) Å, β = 108.100(16)°, V = 1855.8(5) Å 3 , Z = 4, R gt ( F ) = 0.0502, wR ref ( F 2 ) = 0.1224, T = 100 K.
Open Access
Crystal structure of ethyl (E)-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate – water – ethanol (1/1/1), C₁₉H₂₇N₃O₆

December 16, 2017

Liangjun Lv, Zhengli Hao, Long Lin, Yuan Wang

Page range: 155-156

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C 19 H 27 N 3 O 6 , monoclinic, P 2 1 / c (no. 14), a = 8.132(7) Å, b = 8.762(7) Å, c = 30.22(3) Å, β = 97.19(2)°, V = 2136(3) Å 3 , Z = 4, R gt ( F ) = 0.0579, wR ref ( F 2 ) = 0.1892, T = 296(2) K.
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The crystal structure of (E)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid, C₁₆H₁₅NO₄

December 5, 2017

Başak Koşar Kirca

Page range: 157-158

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C 16 H 15 NO 4 , triclinic, P 1̅ (no. 2), a = 4.9960(4) Å, b = 6.9139(5) Å, c = 20.7650(15) Å, α = 83.718(6)°, β = 84.805(6)°, γ = 78.648(6)°, V = 697.25(9) Å 3 , Z = 2, R gt ( F ) = 0.0480, wR ref ( F 2 ) = 0.0988, T = 296 K.
Open Access
Crystal structure of (μ₂-N,N′-bis((pyridin-4-yl)methyl)ethanediamide-κ²N:N′)-tetrakis(diethylcarbamodithioato-κ²S,S′)dizinc(II), C₃₄H₅₄N₈O₂S₈Zn₂

November 21, 2017

Hadi D. Arman, Pavel Poplaukhin, Edward R.T. Tiekink

Page range: 159-161

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C 34 H 54 N 8 O 2 S 8 Zn 2 , monoclinic, C 2/ c (no. 15), a = 20.192(7) Å, b = 16.448(5) Å, c = 14.150(5) Å, β = 102.368(8)°, V = 4590(3) Å 3 , Z = 4, R gt ( F ) = 0.052, wR ref ( F 2 ) = 0.123, T = 98 K.

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