Zeitschrift für Kristallographie - New Crystal Structures

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Volume 232, Issue 1

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Cover and Frontmatter

December 26, 2016

Page range: i-vi

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Editorial
Open Access
Twenty years of crystal structure publication and the road ahead

December 26, 2016

Hubert Huppertz, Guido J. Reiss

Page range: 1-2

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Crystal Structures
Open Access
Crystal structure of poly-[triaqua-(μ₄-5′-carboxy-[1,1′-biphenyl]-2,3,3′-tricarboxylate-κ⁶O¹,O²:O³,O⁴:O⁵:O⁶)praseodymium(III), C₁₆H₁₃O₁₁Pr

October 29, 2016

Rong Fang Li, Xin Fang Liu, Xun Feng

Page range: 3-5

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C 16 H 13 O 11 Pr, triclinic, P 1̅, a = 6.915(3) Å, b = 10.895(4) Å, c = 11.644(4) Å, α = 94.137(5)°, β = 101.152(5)°, γ = 96.831°, V = 850.61(5) Å 3 , Z = 2, R gt ( F ) = 0.0352, wR ref ( F 2 ) = 0.0737, T = 293(2)K.
Open Access
Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C₁₀H₁₃NO₃

October 22, 2016

Jun-Jie Tan, Xiao-Yu Liu, Jie Zhang, Xi Chen, Yi-Ming Li, Bing-Hua Jiao

Page range: 7-8

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C 10 H 13 NO 3 , monoclinic, P 2 1 (no. 4), a = 11.8118(5) Å, b = 4.9299(2) Å, c = 14.5436(7) Å, β = 89.011(3)°, V = 945.28(7) Å 3 , Z = 4, R gt ( F ) = 0.0302, wR ref ( F 2 ) = 0.0774, T = 170 K.
Open Access
Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C₁₉H₁₄N₂O₄

October 20, 2016

Yavuz Köysal, Hakan Bülbül, Esen Nur Kantar, Emine Coşkun, Songül Şahin, Necmi Dege

Page range: 9-10

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C 19 H 14 N 2 O 4 , monoclinic, P 2 1 / c (no. 14), a = 11.8219(12) Å, b = 6.1210(4) Å, c = 22.356(2) Å, β = 94.403(8)°, V = 1612.9(3) Å 3 , Z = 4, R gt (F) = 0.0545, wR ref (F 2 ) = 0.0938, T = 293(2) K.
Open Access
Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine

October 10, 2016

Zbigniew Karczmarzyk, Danuta Branowska, Waldemar Wysocki, Ilona Bancerz, Zofia Urbańczyk-Lipkowska

Page range: 11-12

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C 14 H 8 N 6 O 2 , monoclinic, P 2 1 / c (no. 14), a = 9.2129(18) Å, b = 5.0321(10) Å, c = 13.760(3) Å, β = 100.02(3)°, V = 628.2(2) Å 3 , Z = 2, R gt ( F ) = 0.0416, wR ref ( F 2 ) = 0.1115, T = 296 K.
Open Access
Crystal structure of 11-(p-coumaroyloxy)-tremetone, C₂₂H₂₀O₅

October 1, 2016

Iván Brito, Mario Simirgiotis, Rubén Muñoz, Julio Benites, Leyla Pasten, Jorge Bórquez, Alejandro Cárdenas

Page range: 13-14

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C 22 H 20 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.2039(3) Å, b = 13.1634(8) Å, c = 22.8258(12) Å, V = 1864.06(17) Å 3 , Z = 4, R gt ( F ) = 0.053, wR ref ( F 2 ) = 0.117, T = 297(2) K.
Open Access
The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ¹N)palladium(II) – ethyl acetate – water (1/1/1), C₃₁H₄₂Br₂N₄Pd

October 20, 2016

Shun-Chao Yin, Yong-Fang Zhou, Ye Li, Peng-Cheng Qian

Page range: 15-18

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C 31 H 42 Br 2 N 4 Pd, monoclinic, P 2 1 / c , a = 12.3093(14)Å, b = 15.2805(18) Å, c = 20.3205(17) Å, β = 112.213(5)°, V = 3538.5(7) Å 3 , Z = 4, R gt ( F ) = 0.0540, wR ref ( F 2 ) = 0.1528, T = 298(2)K.
Open Access
Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C₂₈H₁₉N₅O₂

October 1, 2016

Gamal A. El-Hiti, Bakr F. Abdel-Wahab, Amany S. Hegazy, Mesfer Alamri, Benson M. Kariuki

Page range: 19-20

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C 28 H 19 N 5 O 2 , monoclinic, Cc (no. 9), a = 13.9896(9) Å, b = 21.9561(14) Å, c = 7.1643(5) Å, β = 91.782(6)°, V = 2199.5(3) Å 3 , Z = 4, R gt ( F ) = 0.0632, wR ref ( F 2 ) = 0.1727, T = 150(2) K.
Open Access
Crystal structure of 2-(5-(4-fluorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-4-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)thiazole, C₂₉H₂₅FN₆S

October 10, 2016

Hazem A. Ghabbour, Bakr F. Abdel-Wahab, Mesfer Alamri, Mohamed A. Al-Omar, Gamal A. El-Hiti

Page range: 21-23

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C 29 H 25 FN 6 S, triclinic, P 1̅, a = 7.5726(8) Å, b = 11.1428(13) Å, c = 16.412(2) Å, α = 91.823(5)°, β = 102.277(5)°, γ = 106.692(4)°, V = 1289.8(3) Å 3 , Z = 2, R gt (F) = 0.079, wR ref (F 2 ) = 0.205, T = 296 K.
Open Access
Crystal structure of poly-[aqua-(μ₇-benzene-1,3,5-tricarboxylato)-(μ₃-1,2,4-triazol-1-ido)dicobalt(II)], C₁₁H₇Co₂N₃O₇

October 22, 2016

Da Teng, Jing Han, Qinghua Meng, Liangce Rong

Page range: 25-26

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C 11 H 7 Co 2 N 3 O 7 , triclinic, P 1̅ (no. 2), a = 7.8744(6) Å, b = 9.2561(9) Å, c = 9.6688(9) Å, α = 65.775(9)°, β = 87.625(7)°, γ = 73.654(8)°, V = 614.48(11) Å 3 , Z = 2, R gt ( F ) = 0.0537, wR ref ( F 2 ) = 0.1458, T = 296 K.
Open Access
Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C₂₀H₂₄O₆

November 3, 2016

Neng-Wu Zhao, Jiang-Hai Ye, Chen-Liang Zhao, Jing-Jie Zhang, Lu-Tai Pan

Page range: 27-28

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C 20 H 24 O 6 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.697(14) Å, b = 13.91(2) Å, c = 16.75(3) Å, V = 1794 Å 3 , Z = 4, R gt (F) = 0.0430, wR ref (F 2 ) = 0.1087, T = 293 K.
Open Access
Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C₁₄H₁₁N₃S₂

October 10, 2016

Suhair M. S. Jambi, Abdul-Rahman M. Al-Obaid, Eric C. Hosten, Richard Betz, Ahmed Bari

Page range: 29-30

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C 14 H 11 N 3 S 2 , triclinic, P 1̅ (no. 2), a = 5.7607(5)Å, b = 9.8397(9) Å, c = 12.0920(11) Å, α = 72.899(4)°, β = 81.833(4)°, γ = 86.796(5)°, V = 648.40(10) Å 3 , Z = 2, R gt ( F ) = 0.0295, wR ref ( F 2 ) = 0.0797, T = 200(2) K.
Open Access
Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C₉H₁₁BrN₂S

October 8, 2016

Gamal A. El-Hiti, Keith Smith, Amany S. Hegazy, Mohammad Hayal Alotaibi, Benson M. Kariuki

Page range: 31-32

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C 9 H 11 BrN 2 S, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.5187(3) Å, b = 8.0634(3) Å, c = 17.5320(6) Å, V = 1062.90(7) Å 3 , Z = 4, R gt ( F ) = 0.0216, wR ref ( F 2 ) = 0.0536, T = 296(2) K.
Open Access
Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C₁₇H₂₁ClN₂S

October 1, 2016

Fatmah A. M. Al-Omary, Lamees S. Al-Rasheed, Hazem A. Ghabbour, Ali A. El-Emam

Page range: 33-35

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C 17 H 21 ClN 2 S, orthorhombic, Pca 2 1 (no. 29), a = 25.4796(11) Å, b = 6.7503(3) Å, c = 18.9971(9) Å, V = 3267.4(3) Å 3 , Z = 8, R gt ( F ) = 0.045, wR ref ( F 2 ) = 0.106, T = 293(2).
Open Access
Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C₁₇H₂₁BrN₂O

October 8, 2016

Fatmah A. M. Al-Omary, Lamees S. Al-Rasheed, Hazem A. Ghabbour, Ali A. El-Emam

Page range: 37-39

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C 17 H 21 BrN 2 O, orthorhombic, Pna 2 1 (no. 33), a = 9.2558(12) Å, b = 13.0186(17) Å, c = 13.4684(18) Å, V = 1622.9(4) Å 3 , Z = 4, R gt ( F ) = 0.0471, wR ref ( F 2 ) = 0.1059, T = 100 K.
Open Access
Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C₁₄H₁₄N₂O₂S

October 10, 2016

Yahia N. Mabkhot, Hazem A. Ghabbour, Faiz A. Al-aizari, Salim Al-Showiman

Page range: 41-42

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C 14 H 14 N 2 O 2 S, triclinic, P 1̄, a = 8.6471(4) Å, b = 9.5576(5) Å, c = 9.7098(5) Å, α = 91.054(2)°, β = 109.380(2)°, γ = 113.769(2)°, V = 681.95(6) Å 3 , Z = 2, R gt ( F ) = 0.061, wR ref ( F 2 ) = 0.175, T = 296(2).
Open Access
Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b¹,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C₂₁H₂₄N₂O₃

October 8, 2016

Rui-Xia Qiu, Guo-Qiang Li, Hong-Ji Chen, Lin Wang, Chun-Hua Wang

Page range: 43-45

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C 21 H 24 N 2 O 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 9.7186(12) Å, b = 13.4479(16) Å, c = 13.6679(17) Å, V = 1786.3(4) Å 3 , Z = 4, R gt ( F ) = 0.0393, wR ref ( F 2 ) = 0.0937, T = 173 K.
Open Access
Crystal structure of 2-amino-5-oxo-4-(3,4,5-trimethoxy-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C₁₈H₁₈N₂O₅

October 8, 2016

Jingwei Li, Jiali Lin, Mingna Zhang, Ke Wang, Jieli He

Page range: 47-48

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C 18 H 18 N 2 O 5 , monoclinic, P 2 1 / n , a = 8.605(5) Å, b = 8.496(4) Å, c = 23.771(5) Å, β = 95.853(19)°, V = 1728.7(12) Å 3 , Z = 4, R gt ( F ) = 0.0461, wR ref ( F 2 ) = 0.1309, T = 296 K.
Open Access
Crystal structure of 1,2,3-trimethyl-2,3-dihydro-1H-perimidine, C₁₄H₁₆N₂

October 24, 2016

Zhong-Yan Li, Xian-You Yuan, Lin Yuan, Min Zhang

Page range: 49-50

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C 14 H 16 N 2 , monoclinic, C 2/ c (no. 15), a = 32.300(3) Å, b = 7.2653(6) Å, c = 10.4316(10) Å, β = 102.133(5)°, V =2393.3(4) Å 3 , Z = 8, R gt ( F ) = 0.0464, wR ref ( F 2 ) = 0.1411, T = 296(2) K.
Open Access
Crystal structure of bis(2,6-dihydroxymethyl)pyridine-κ³N,O,O′)-bis(μ₂-6-chloropyridin-2-olato-κ³N,O:O)-bis(6-chloropyridin-2-olato-κO)-bis(nitrato-κ²O,O′)digadolinium(III), C₃₄H₃₀Cl₄Gd₂N₈O₁₄

November 3, 2016

Yu Youzhu, Guo Yuhua, Yang Liguo, Niu Yongsheng

Page range: 51-52

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C 34 H 30 Cl 4 Gd 2 N 8 O 14 , monoclinic, P 2 1 / c (no. 14), a = 8.9118(5) Å, b = 20.7857(11) Å, c = 11.7642(6) Å, β = 100.677(2)°, V = 2141.4(2) Å 3 , Z = 2, R gt ( F ) = 0.0245, wR ref ( F 2 ) = 0.1057, T = 293(2) K.
Open Access
Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, C₁₉H₂₇NO₃

October 1, 2016

Kun-Yan Wang, Xiao-Li Yang

Page range: 53-54

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C 19 H 27 NO 3 , monoclinic, P 2 1 / c (no. 14), a = 6.6207(3) Å, b = 9.4712(5) Å, c = 28.0365(14) Å, β = 94.716(2)°, V = 1752.10(15) Å 3 , Z = 4, R gt ( F ) = 0.052, wR ref ( F 2 ) = 0.115, T = 296(2) K.
Open Access
Crystal structure of 1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin-2-one, C₁₉H₁₄N₂O₄S

November 23, 2016

Ayman El-Faham, Sherine N. Khattab, Hazem A. Ghabbour

Page range: 55-57

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C 19 H 14 N 2 O 4 S, triclinic, P 1̅, a = 5.9059(2) Å, b = 10.1508(5) Å, c = 13.6286(6) Å, α = 88.499(2)°, β = 88.744(2))°, γ = 84.569(2)°, V = 812.93(6) Å 3 , Z = 2, R gt ( F 2 ) = 0.058, wR( F 2 ) = 0.147, T = 100 K.
Open Access
Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba-nido-undecaborane-κ²P,P′)-(benzoato-κ²O,O′)nickel(II), C₂₁H₄₂B₉NiO₂P₂

December 3, 2016

Yang Liguo, Wang xin, Gao Qianqian, Dai Yuqiang

Page range: 59-61

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C 21 H 42 B 9 NiO 2 P 2 , monoclinic, P 2 1 / c , a = 9.3840(9)Å, b = 17.0119(18) Å, c = 19.9631(19) Å, β = 112.250(2)°, V = 2949.6(5)Å 3 , Z = 4, R gt ( F ) = 0.0585, wR ref ( F 2 ) = 0.1489, T = 298 K.
Open Access
Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C₂₁H₁₉NO₃

November 16, 2016

Gadada Naganagowda, Thabo Joel Mahlaka, Reinout Meijboom

Page range: 63-65

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C 21 H 19 NO 3 , monoclinic, P 2 1 / n (no. 14), a = 10.137(2) Å, b = 12.3205(18) Å, c = 14.700(3) Å, β = 106.432(1)°, V = 1760.9(6) Å 3 , Z = 4, R gt ( F ) = 0.0511, wR ref ( F 2 ) = 0.1808, T = 293 K.
Open Access
Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C₁₃H₁₄N₂O₆S₂

October 14, 2016

Qing-Wu Chen, De-Long Shen

Page range: 67-68

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C 13 H 14 N 2 O 6 S 2 , monoclinic, C 2/ c (no. 15), a = 28.1174(10)Å, b = 9.8677(4)Å, c = 11.2738(4)Å, β = 98.4457(11)°, V = 3094.0(2)Å 3 , Z = 8, R gt (F) = 0.0382, w R ref ( F 2 ) = 0.1141, T = 296(2) K.
Open Access
Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C₁₃H₁₄N₂O₃S

October 29, 2016

Ayman El-Faham, Adel El-Merghany, Hazem A. Ghabbour

Page range: 69-71

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C 13 H 14 N 2 O 3 S, monoclinic, C 2/ c (no. 15), a = 27.9910(12) Å, b = 6.5721(3) Å, c = 14.2821(7) Å, β = 92.600(3)°, V = 2624.6(2) Å 3 , Z = 8, R gt ( F ) = 0.042, wR ref ( F 2 ) = 0.105, T = 100 K.
Open Access
Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoro phosphate), C₁₄H₂₄F₁₂N₄P₂

September 27, 2016

Nie Xu-Liang, Kong Juan-Hua, Chen Jing, Chen Jin-Zhu, Xiong Wan-Ming

Page range: 73-74

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C 14 H 24 F 12 N 4 P 2 , triclinic, P 1̅ (no. 2), a = 8.8173(12) Å, b = 8.8845(12) Å, c = 9.1494(12) Å, α = 62.2060(10)°, β = 64.2980(10)°, γ = 89.661(2)°, V = 553.72(13) Å 3 , Z = 1, R gt ( F ) = 0.0746, wR ref ( F 2 ) = 0.2038, T = 296 K.
Open Access
Crystal structure of di-μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane-κ²P,P′]zinc(II), C₅₂H₁₀₈B₂₀Cl₂P₄Zn₂

October 8, 2016

Wang Xin, Yang Liguo, Gao Qianqian, Dai Yuqiang

Page range: 75-77

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C 52 H 108 B 20 Cl 2 P 4 Zn 2 , monoclinic, C 2/ c (no. 15), a = 31.783(3) Å, b = 10.0780(10) Å, c = 24.9326(19) Å, β = 109.901(2)°, V = 7509.2(11) Å 3 , Z = 4, R gt ( F ) = 0.0569, wR ref ( F 2 ) = 0.0972, T = 298 K.
Open Access
Crystal structure of dibromido-bis[μ-1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κN]mercury(II), C₃₀H₂₆Br₂HgN₁₀

September 27, 2016

Xia Wang, Jing-Jing Shi, Shu-Ling Zhang, Han-Bing Li

Page range: 79-80

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C 30 H 26 Br 2 HgN 10 , monoclinic, C 2/ c (no. 15), a = 15.5262(6) Å, b = 13.2099(7) Å, c = 14.8370(5) Å, β = 95.688(3)°, V = 3028.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0329, wR ref ( F 2 ) = 0.0561, T = 291(2) K.
Open Access
Crystal structure of bis(μ-nitrato-κ²O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-κ²P,P′]disilver(I) dicloromethane monosolvate, C₅₄H₆₄B₂₀Cl₄O₆P₄Ag₂

October 29, 2016

Wang Yanfei, Wang Xin, Gao Qianqian, Yang Liguo

Page range: 81-83

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C 54 H 64 B 20 Cl 4 O 6 P 4 Ag 2 , triclinic, P 1̅ (no. 2), a = 10.1200(10) Å, b = 11.9101(11) Å, c = 14.4999(15) Å, α = 86.432(2)°, β = 80.670(1)°, γ = 84.031(2)°, V = 1713.4(3)Å 3 , Z = 1, R gt (F) = 0.0535, wR ref (F 2 ) = 0.1544, T = 298 K.
Open Access
Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ₂-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ⁴-O,N:N′,N′′(2⁻)]diiron(III) − dimethylformamide (1/1), C₃₆H₄₂Cl₂Fe₂N₁₄O₆

October 1, 2016

Xin Cao, Jianhua Sun, Weihua Li, Hui Lu

Page range: 85-86

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C 36 H 42 Cl 2 Fe 2 N 14 O 6 , monoclinic, P 2 1 / c (no. 14), a = 10.44(4) Å, b = 9.13(3) Å, c = 22.46(7) Å, β = 100.88(4)°, V = 2101(12) Å 3 , Z = 2, R gt (F) = 0.0599, wR ref ( F 2 ) = 0.1563, T = 296(2) K.
Open Access
Crystal structure of diaqua-dinitrato-κO-bis(4-(1H-pyrazol-3-yl)pyridine-κN)manganese(II), C₁₆H₁₈MnN₈O₈

October 8, 2016

Guang-Zhou Zhu, Chun-Ling Li, Yu-Yu Feng, Xiao-Wan Feng, Feng-Lei Yang

Page range: 87-88

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C 16 H 18 MnN 8 O 8 , monoclinic, P 2 1 /c (no. 14), a = 7.3533(3) Å, b = 11.8078(5) Å, c = 12.6376(5) Å, β = 110.028(2)°, V = 1030.92(7) Å 3 , Z = 2, R gt ( F ) = 0.0312, wR ref ( F 2 ) = 0.1166, S = 1.043, T = 296(2) K.
Open Access
Crystal structure of (Z)-6-methoxy-2-(2,2,2-trifluoro-1-hydroxyethylidene)-2,3-dihydro-1H-inden-1-one, C₁₂H₆F₆O₃

November 3, 2016

DongYe Xing, YanJun Hou, WenYi Chu, ZhiZhong Sun

Page range: 89-90

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C 12 H 6 F 6 O 3 , monoclinic, P 2 1 / c (no. 14), a = 9.433(1) Å, b = 15.567(2) Å, c = 7.682(1) Å, β = 102.83(1)°, V =1099.95(3) Å 3 , Z = 4, R gt ( F ) = 0.0433, wR ref ( F 2 ) = 0.1264, T = 293 K.
Open Access
Crystal Structure of 4-(2-chloroacetamido)pyridinium chloride monohydrate, C₇H₁₀Cl₂N₂O₂

October 1, 2016

Mostafa M. Ghorab, Mansour S. Alsaid, Hazem A. Ghabbour

Page range: 91-92

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C 7 H 10 Cl 2 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 9.8798(3) Å, b = 13.9285(5) Å, c = 7.3161(3) Å, β = 100.512(3)°, V = 989.88(6) Å 3 , Z = 4, R gt (F) = 0.0475, wR ref (F 2 ) = 0.1178, T = 296 K.
Open Access
Crystal structure of 2-amino-4-(4-chloro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C₁₆H₁₃ClN₂O₂

October 1, 2016

Jingwei Li, Jianxiang Yang, Qianqian Tao, Chenxi Yue, Jieli He

Page range: 93-94

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C 16 H 13 ClN 2 O 2 , monoclinic, C 2/ c (no. 15), a = 13.7576(10) Å, b = 11.0534(5) Å, c = 19.6232(14) Å, β = 107.776(8)°, V = 2841.6(3) Å 3 , Z = 8, R gt ( F ) = 0.0407, wR ref ( F 2 ) = 0.1105, T = 293(2) K.
Open Access
Crystal structure of (E)-1-(2-(thiophen-2-ylmethylene)hydrazinyl)phthalazine hydrochloride–ethanol (1/1), C₁₅H₁₇ClN₄OS

October 24, 2016

Ayman El-Faham, Hazem A. Ghabbour

Page range: 95-97

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C 15 H 17 ClN 4 OS, triclinic, P 1̅ (no. 2), a = 7.5069(2) Å, b = 9.4329(3) Å, c = 11.9723(4) Å, α = 81.6963(11)°, β = 78.2307(9)°, γ = 86.700(1)°, V = 820.91(4) Å 3 , Z = 2, R gt ( F ) = 0.0621, wR ref ( F 2 ) = 0.1923, T = 100 K.
Open Access
Crystal structure of N,N-diethyl-5-bromo-3,4-dihydro-2,4-dioxopyrimidine-1(2H)-carboxamide, C₉H₁₂BrN₃O₃

October 29, 2016

Guang-Hui Wu, Xian-Bo Shi, Yu-Feng Lian, Hua-Bin Xiang, Jing Xiong

Page range: 99-100

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C 9 H 12 BrN 3 O 3 , monoclinic, P 2 1 / c , a = 12.0359(15) Å, b = 5.4815(6) Å, c = 20.1931(18) Å, β = 120.780(5)°, V = 1144.6(2) Å 3 , Z = 4, R gt ( F ) = 0.0234, wR ref ( F 2 ) = 0.0984, T = 298(2) K.
Open Access
Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C₂₄H₂₅ClN₂O₂

October 15, 2016

Mohammed B. Alshammari, Keith Smith, Amany S. Hegazy, Benson M. Kariuki, Gamal A. El-Hiti

Page range: 101-103

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C 24 H 25 ClN 2 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.9066(2) Å, b = 15.7928(3) Å, c = 21.7829(6) Å, V = 2031.95(10) Å 3 , Z = 4, R gt ( F ) = 0.0319, wR ref ( F 2 ) = 0.0838, T = 150(2) K.
Open Access
Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C₉H₁₁ClN₂S

October 29, 2016

Gamal A. El-Hiti, Keith Smith, Mohammed B. Alshammari, Amany S. Hegazy, Benson M. Kariuki

Page range: 105-107

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C 9 H 11 ClN 2 S, monoclinic, Pc (no. 7), a = 14.8440(4) Å, b = 7.2002(2) Å, c = 10.0920(2) Å, β = 99.733(2)°, V = 1063.10(5) Å 3 , Z = 4, R gt ( F ) = 0.0399, wR ref ( F 2 ) = 0.1099, T = 296(2) K.
Open Access
Crystal structure of 2-amino-4-(4-bromo-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C₁₆H₁₁BrN₂O₃

November 1, 2016

Xue-Jun Yu, Lin-Ping Zhao, Long-Ji Ma, Hua-Fen Gong

Page range: 109-110

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C 16 H 11 BrN 2 O 3 , monoclinic, C 2/ c , a = 21.504(3) Å, b = 8.2788(10) Å, c = 18.170(3) Å, β = 110.511(5)°, V = 3029.8(7) Å 3 , Z = 8, R gt (F) = 0.0429, wR ref (F 2 ) = 0.1251, T = 296 K.
Open Access
Crystal structure of 4-(3,4-dimethyl-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C₂₁H₂₅NO₃

November 9, 2016

Jing Meng, Yifei Dai, Feng Sui

Page range: 111-112

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C 21 H 25 NO 3 , triclinic, P 1̅ (no. 2), a = 7.336(4) Å, b = 10.825(4) Å, c = 12.322(3) Å, α = 70.940(18)°, β = 75.965(19)°, γ = 82.483(19)°, V = 895.8(6) Å 3 , Z = 2, R gt ( F ) = 0.0736, wR ref ( F 2 ) = 0.1827, T = 296 K.
Open Access
Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C₂₃H₂₆N₂O₃

November 9, 2016

Mehtap Tugrak, Abdullah Aydin, Halise Inci Gul, Ertan Sahin, Mehmet Akkurt

Page range: 113-115

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C 23 H 26 N 2 O 3 , triclinic, P 1̅ (No. 2), a = 10.6646(19) Å, b = 10.7784(17) Å, c = 11.150(2) Å, α = 67.787(7)°, β = 64.309(7)°, γ = 64.271(7)°, V = 1011.6(3) Å 3 , Z = 2, R gt ( F ) = 0.0502, wR ref ( F 2 ) = 0.1481, T = 293 K.
Open Access
Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C₆₀H₇₂N₂O₁₂

November 12, 2016

Xiangxiang Wu, Yanbing Zai

Page range: 117-119

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C 60 H 72 N 2 O 12 , triclinic, P 1 (no. 1), a = 9.6569(4) Å, b = 10.9361(4) Å, c = 13.8551(6) Å, α = 113.198(3)°, β = 95.632(4)°, γ = 91.114(3)°, V = 1335.72(9) Å 3 , Z = 1, R gt ( F ) = 0.0512, wR ref ( F 2 ) = 0.1380, T = 150(2) K.
Open Access
Crystal structure of catena-poly-{aqua-[μ₂-1,2-bis((1H-imidazol-1-yl)methyl)benzene-κ²N:N′]-[μ₂-4,4′-(dimethylsilanediyl)dibenzato-κ³O,O′:O′]nickel(II)}, C₃₀H₃₀N₄NiO₅Si

October 29, 2016

Yan Cai

Page range: 121-123

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C 30 H 30 N 4 NiO 5 Si, triclinic, P 1̅ (no. 2), a = 8.6296(4) Å, b = 12.9969(6) Å, c = 14.8944(6) Å, α = 114.8630(10)°, β = 90.8960(10)°, γ = 105.3700(10)°, V = 1445.98(11) Å 3 , Z = 2, R gt ( F ) = 0.0272, wR ref (F 2 ) = 0.0735, T = 293 K.
Open Access
The crystal structure of 1-(4-bromophenyl)-2-(4-(4-fluorophenyl)piperazin-1-yl)ethanol, C₁₈H₂₀BrFN₂O₁

November 16, 2016

Yang Zhang, Su Wang, Juan Sun

Page range: 125-126

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C 18 H 20 BrFN 2 O 1 , monoclinic, P 2 1 / c (no. 14), a = 14.1884(10) Å, b = 5.3673(4) Å, c = 22.3768(15) Å, β = 93.293(2)°, V = 1701.3(2) Å 3 , Z = 4, R gt (F) = 0.0510, wR ref (F 2 ) = 0.1384, T = 273 K.
Open Access
Crystal structure of trimethylammonium 4-((4-carboxyphenyl)sulfonyl)benzoate, C₁₇H₁₉NO₆S

December 10, 2016

Shanshan Hou, Yimin Hou, Mingxia Wu

Page range: 127-128

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C 17 H 19 NO 6 S, monoclinic, C 2/ c (no. 15), a = 20.868(3) Å, b = 11.6189(15) Å, c = 15.0133(19) Å, β = 101.344(7)°, V = 3569.1(8) Å 3 , Z = 8, R gt ( F ) = 0.0510, wR ref ( F 2 ) = 0.1714, T = 296(2) K.
Open Access
Crystal structure of syn-2,4-di-o-tolylpentane-2,4-diol, C₁₉H₂₄O₂

December 8, 2016

Jiao Yinchun, Deng Shuang

Page range: 129-130

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C 19 H 24 O 2 , monoclinic, P 2 1 / c (no. 14), a = 13.3172(6) Å, b = 9.1454(5) Å, c = 13.8551(5) Å, β = 98.930(4)°, V = 1666.97(13) Å 3 , Z = 4, R gt ( F ) = 0.0510, wR ref ( F 2 ) = 0.1652, T = 291 K.
Open Access
Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C₁₅H₇BrF₆N₂OS₂

November 16, 2016

Fatmah A. M. Al-Omary, Fahdah S. Alanazi, Hazem A. Ghabbour, Ali A. El-Emam

Page range: 131-133

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C 15 H 7 BrF 6 N 2 OS 2 , monoclinic, P 2 1 / c (no. 14), a = 18.8292(14) Å, b = 11.4568(9) Å, c = 8.3400(6) Å, β = 90.791(3)°, V = 1799.0(2) Å 3 , Z = 4, R gt ( F ) = 0.068, wR ref ( F 2 ) = 0.199, T = 296(2).
Open Access
Crystal structure of (E)-3-((naphthalen-1-ylimino)methyl)-4-nitrophenol, C₁₇H₁₂N₂O₃

December 3, 2016

Hakan Bülbül, Yavuz Köysal, Mustafa Macit, Rukiye Yaman, Necmi Dege

Page range: 135-136

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C 17 H 12 N 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 7.2641(5) Å, b = 12.3968(6) Å, c = 16.1786(13) Å, β = 108.200(6)°, V = 1384.02(16) Å 3 , Z = 4, R gt (F) = 0.0905, wR ref (F 2 ) = 0.1928, T = 293(2) K.
Open Access
Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C₁₀H₉Cl₂NO₄

November 9, 2016

Bo-Shu Qi, Xiao-Nan Sun, Huan-Huan Yang, Ying Fu, Fei Ye

Page range: 137-138

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C 10 H 9 Cl 2 NO 4 , orthorhombic, Pbca , a = 11.151(2) Å, b = 7.0923(14) Å, c = 29.243(6) Å, V = 2312.7(8) Å 3 , Z = 8, R gt (F) = 0.0459, wR ref (F 2 ) = 0.1223, T = 293 K.
Open Access
Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanopalladate(II), C₁₄H₂₄N₈Pd₂

November 16, 2016

Kwang Ha

Page range: 139-140

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C 14 H 24 N 8 Pd 2 , monoclinic, P 2 1 /n (no. 14), a = 9.075(2) Å, b = 8.3534(19) Å, c = 12.106(3) Å, β = 94.895(4)°, V = 914.3(4) Å 3 , Z = 2, R gt ( F ) = 0.0220, wR ref ( F 2 ) = 0.0654, T = 223(2) K.
Open Access
Crystal structure of 2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid monohydrate, C₅H₇NO₄S₂

December 8, 2016

Assem Barakat, M. Ali, Abdullah Mohammed Al-Majid, Hazem A. Ghabbour

Page range: 141-142

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C 5 H 7 NO 4 S 2 , monoclinic, P 2 1 / n (no. 14), a = 4.8114(2) Å, b = 12.1265(5) Å, c = 14.2881(6) Å, β = 92.845(1)°, V = 832.62(6) Å 3 , Z = 4, R gt ( F ) = 0.0302, wR ref ( F 2 ) = 0.0731, T = 100(2).
Open Access
Crystal structure of a P4-bridged (η⁵-pentamethyl-cyclopentadienyl)(η⁵-adamantylcyclopentadienyl) titanium(III)complex, C₅₀H₆₆P₄Ti₂

November 12, 2016

Tim Oswald, Thomas Beermann, Wolfgang Saak, Rüdiger Beckhaus

Page range: 143-145

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C 50 H 66 P 4 Ti 2 , orthorhombic, P 2 1 2 1 2 (no. 18), a = 14.3799(5) Å, b = 15.4444(6) Å, c = 9.5555(5) Å, V = 2122.17(16) Å 3 , Z = 2, R gt (F) = 0.0338, wR ref (F 2 ) = 0.0643, T = 153(2) K.
Open Access
Crystal structure of cis-bis(2,2′-bipyrimidine-κ²N,N′)bis(thiocyanato-κN)nickel(II), C₁₈H₁₂N₁₀NiS₂

October 20, 2016

Kwang Ha

Page range: 147-148

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C 18 H 12 N 10 NiS 2 , tetragonal, I 4 1 / a (no. 88), a = 12.1303(5) Å, c = 28.7471(12) Å, V = 4230.0(4) Å 3 , Z = 8, R gt ( F ) = 0.0329, wR ref ( F 2 ) = 0.0854, T = 223(2) K.
Open Access
Crystal structure of cis-bis(2,2′-bipyridine-κ²N,N′)dibromidomanganese(II), C₂₀H₁₆Br₂MnN₄

October 29, 2016

Kwang Ha

Page range: 149-150

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C 20 H 16 Br 2 MnN 4 , monoclinic, C 2/ c (no. 15), a = 16.6073(6) Å, b = 9.3708(4) Å, c = 14.9722(9) Å, β = 121.3010(19)°, V = 1990.89(17) Å 3 , Z = 4, R gt ( F ) = 0.0414, wR ref ( F 2 ) = 0.0867, T = 223(2) K.
Open Access
Crystal structure of cis-bis(2,2′-bipyridine-κ²N,N′)bis(thiocyanato-κN)nickel(II), C₂₂H₁₆N₆NiS₂

November 1, 2016

Kwang Ha

Page range: 151-152

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C 22 H 16 N 6 NiS 2 , triclinic, P 1̅ (no. 2), a = 7.2925(4) Å, b = 8.9214(5) Å, c = 17.7808(9) Å, α = 90.484(3)°, β = 98.965(3)°, γ = 113.003(3)°, V = 1048.75(10) Å 3 , Z = 2, R gt ( F ) = 0.0480, wR ref ( F 2 ) = 0.0824, T = 223(2) K.
Open Access
Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C₁₀H₂₄Br₂N₄Ni

October 29, 2016

Kwang Ha

Page range: 153-154

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C 10 H 24 Br 2 N 4 Ni, monoclinic, P 2 1 / c (no. 14), a = 6.9551(4) Å, b = 12.6275(7) Å, c = 8.7343(4) Å, β = 109.1167(18)°, V = 724.79(7) Å 3 , Z = 2, R gt ( F ) = 0.0226, wR ref ( F 2 ) = 0.0439, T = 223(2) K.
Open Access
Crystal structure of cis-tetrabromidobis(pyridine-κN)platinum(IV), C₁₀H₁₀Br₄N₂Pt

November 12, 2016

Kwang Ha

Page range: 155-156

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C 10 H 10 Br 4 N 2 Pt, monoclinic, P 2 1 / c (no. 14), a = 8.0172(4) Å, b = 13.1989(7) Å, c = 13.8836(8) Å, β = 95.995(3)°, V = 1461.10(14) Å 3 , Z = 4, R gt ( F ) = 0.0477, wR ref ( F 2 ) = 0.1189, T = 223(2) K.
Open Access
Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C₂₃H₁₇ClFN₅S₂

December 10, 2016

Gamal A. El-Hiti, Bakr F. Abdel-Wahab, Mohammed Baashen, Amany S. Hegazy, Benson M. Kariuki

Page range: 157-158

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C 23 H 17 ClFN 5 S 2 , monoclinic, P 2 1 / c (no. 14), a = 20.9691(12) Å, b = 11.5316(6) Å, c = 9.2546(4) Å, β = 95.484(4)°, V = 2227.6(2) Å 3 , Z = 4, R gt ( F ) = 0.0468, wR ref ( F 2 ) = 0.1126, T = 296 K.
Open Access
The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C₁₀H₁₈Cl₄CoN₂O

October 24, 2016

Guido J. Reiss, Alena Sergeeva

Page range: 159-161

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C 10 H 18 Cl 4 CoN 2 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.0057(3) Å, b = 7.4317(3) Å, c = 29.2510(13) Å, V = 1522.93(11) Å 3 , Z = 4, R gt (F) = 0.0356, wR ref (F 2 ) = 0.0737, T = 110 K.

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