Volume 234, Issue 2

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Cover and Frontmatter

February 23, 2019

Page range: i-vii

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Open Access
Crystal structure of 1H-indole-5-carboxylic acid – 4,4′-bipyridine (2/1), C₁₄H₁₁N₂O₂

October 30, 2018

Deng Linxin, Kuang Xinya, Yang Huarong, Li Song

Page range: 191-192

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C 14 H 11 N 2 O 2 , triclinic, P 1̄ (no. 2), a = 7.8749(6) Å, b = 9.6746(6) Å, c = 16.0818(12) Å, α = 78.200(6)°, β = 83.007(6)°, γ = 85.035(6)°, V = 1188.00(15) Å 3 , Z = 4, R gt ( F ) = 0.0638, w R ref ( F 2 ) = 0.1712, T = 295.42(10) K.
Open Access
Crystal structure of ethyl 2-amino-4-(4-ethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C₂₃H₂₁NO₆

October 25, 2018

Xue-Kun Liu, Xiao-Yu Geng, Meng Zhang, Bai-Jun Ye, Zhan Shi, Yan-Qiu Wang

Page range: 193-194

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C 23 H 21 NO 6 , triclinic, P 1̄ (no. 2), a = 7.624(4) Å, b = 9.197(5) Å, c = 15.058(5) Å, α = 94.13(3)°, β = 102.27(3)°, γ = 106.72(3)°, V = 977.9(8) Å 3 , Z = 2, R gt ( F ) = 0.0662, wR ref ( F 2 ) = 0.1733, T = 296(2) K.
Open Access
Crystal structure of ethyl 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C₁₆H₁₆BrNO₄S

November 30, 2018

Jun-Feng Yan, Xin Xiong, Hai-Lei He

Page range: 195-196

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C 16 H 16 BrNO 4 S, monoclinic, P 2 1 / c (no. 14), a = 9.649(4) Å, b = 15.108(4) Å, c = 14.994(5) Å, β = 128.65(2)°, V = 1707.0(11) Å 3 , Z = 4, R gt ( F ) = 0.0444, wR ref ( F 2 ) = 0.0999, T = 293(2) K.
Open Access
The crystal structure of 6-amino-2-methyl-8-(4-(methylthio)phenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile – ethanol (1/1), C₂₀H₁₉N₅S

October 25, 2018

Da Li, Hua Zhang, Qing Zhang, Yan Zhou, Sheng Zhou

Page range: 197-198

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C 20 H 19 N 5 S.C 2 H 6 O, monoclinic, P 2 1 / c (no. 14), a = 12.1257(14) Å, b = 11.0862(14) Å, c = 16.0280(19) Å, β = 95.948(2)°, V = 2143.0(4) Å 3 , Z = 4, R gt ( F ) = 0.0486, wR ref ( F 2 ) = 0.1487, T = 296(2) K.
Open Access
Crystal structure of 6-amino-8-(4-isopropylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile-ethanol (1/1), C₂₄H₂₉N₅O

December 19, 2018

Xian-Chang Liu, Pei-Pei Zhang, Yong Wang

Page range: 199-200

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C 24 H 29 N 5 O, triclinic, P 1̄ (no. 2), a = 10.352(9) Å, b = 10.911(10) Å, c = 12.480(6) Å, α = 97.33(2)°, β = 110.29(2)°, γ = 115.353(15)°, V = 1129.6(15) Å 3 , Z = 2, R gt ( F ) = 0.0614, wR ref ( F 2 ) = 0.1855, T = 296(2) K.
Open Access
Crystal structure of 1,1′-(ethane-1,2-diyl)bis(3-ethyl-1H-imidazol-3-ium)bis(hexafluorido phosphate), C₁₂H₂₀F₁₂N₄P₂

October 25, 2018

Xiong Wan-Ming, Di Yi-Bo, Lan Ying-Dong, Chen Jing, Nie Xu-Liang, Huang Chang-Gan

Page range: 201-203

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C 12 H 20 F 12 N 4 P 2 , monoclinic, P 2 1 / c (no. 14), a = 7.012(2) Å, b = 15.507(5) Å, c = 10.398(2) Å, β = 118.945(15)°, Z = 2, V = 989.4(5) Å 3 , R gt ( F ) = 0.0526, wR ref ( F 2 ) = 0.1537, T = 296(2) K.
Open Access
Crystal structure of dimethyl (3aS,6R,6aS,7S)-2-pivaloyl-2,3-dihydro-1H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isoquinoline-3a1,6a-dicarboxylate, C₂₁H₂₅NO₈

October 30, 2018

Pavel V. Dorovatovskii, Nurlana D. Sadigova, Alakbar E. Huseynzada, Sarvinaz F. Hajiyeva, Alejandro Cárdenas, Jonathan Cisterna, Iván Brito

Page range: 205-207

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C 21 H 25 NO 8 , P 2 1 / n , (no. 14), a = 12.905(3) Å, b = 13.370(3) Å, c = 13.090(3) Å, β = 118.19(3)°, V = 1990.5(8) Å 3 , Z = 4, R gt ( F ) = 0.0629, wR ref ( F 2 ) = 0.1966, T = 100(2) K.
Open Access
Crystal structure of methyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C₁₈H₂₀BrNO₃S

December 8, 2018

Bo Tang

Page range: 209-210

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C 18 H 20 BrNO 3 S, monoclinic, P 2 1 / n (no. 14), a = 11.558(5) Å, b = 13.098(5) Å, c = 12.250(5) Å, β = 106.923(17)°, V = 1774.2(12) Å 3 , Z = 4, R gt ( F ) = 0.0528, wR ref ( F 2 ) = 0.1526, T = 293(2) K.
Open Access
Hydrothermal synthesis and crystal structure of catena-poly[bis(4-((pyridin-4-ylmethyl)amino)benzoato-κ³N:O,O′)zinc(II) – 1,2-di(pyridin-4-yl)ethene – water (1/1/1), C₃₈H₃₄N₆O₅Zn

November 30, 2018

Yin Wei-Dong, He Yu-Ying, Shen Jia, Li Gui-Lian

Page range: 211-213

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C 38 H 34 N 6 O 5 Zn, triclinic, P 1̄, a = 9.1991(4) Å, b = 9.7349(4) Å, c = 19.5840(8) Å, α = 102.770(4)°, β = 90.522(3)°, γ = 100.879(4)°, V = 1677.31(13) Å 3 , Z = 2, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.0928, T = 293(2) K.
Open Access
The crystal structure of 1,2-dimethyl-3,4-dinitrobenzene, C₈H₈N₂O₄

November 9, 2018

Shen Fanfan, Xue Shaomin, Wang Jianlong

Page range: 215-216

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C 8 H 8 N 2 O 4 , monoclinic, P 2 1 / c (no. 14), a = 7.8936(7) Å, b = 14.4210(13) Å, c = 16.0109(15) Å, V = 1799.5(3) Å 3 , Z = 8, R gt ( F ) = 0.0590, wR ref ( F 2 ) = 0.1293, T = 173(2) K.
Open Access
Synthesis and crystal structure of trans-tetraaqua-bis(3-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)propanoato-κO)zinc(II) tetrahydrate, C₃₈H₄₈N₂O₂₆S₂Zn

December 22, 2018

Hai-Lin Chen, Li-Wei Pan, Yong-Ling Qin, Yan-Jun Xie, Peng Zhang

Page range: 217-219

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C 38 H 48 N 2 O 26 S 2 Zn, monoclinic, P 2 1 / c (no. 14), a = 15.7219(7) Å, b = 8.0394(4) Å, c = 17.1968(8) Å, β = 92.210(4)°, V = 2171.97(18) Å 3 , Z = 2, R gt (F) = 0.0395, wR ref (F 2 ) = 0.0951, T = 293(2) K.
Open Access
Crystal structure of diaqua-bis(μ₂-6-chloropyridin-2-olato-κ³N,O:O)-tetrakis(chloropyridin-2-olato-κ¹O)-bis(penanthroline-κ²N,N′)diterbium(III), C₅₄H₃₈Cl₆Tb₂N₁₀O₈

November 16, 2018

Yu Youzhu, Liu Nana, Shi Weiyun, Guo Yuhua, Wu Dongxu

Page range: 221-222

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C 54 H 38 Cl 6 Tb 2 N 10 O 8 , triclinic, P 1̄, a = 12.0062(8) Å, b = 12.0072(8) Å, c = 12.2324(8) Å, α = 115.371(3)°, β = 103.452(3)°, γ = 107.883(3)°, V = 1373.64(16) Å 3 , Z = 1, R gt ( F ) = 0.0237, wR ref ( F 2 ) = 0.1020, T = 296(2) K.
Open Access
Crystal structure of oxidobis(piperidine-1-carbodithioato-κ²S,S′)vanadium(IV), C₁₂H₂₀N₂OS₄V

November 9, 2018

Aneta Machálková, Iva Charamzová, Jan Honzíček, Jaromír Vinklárek, Ivana Císařová

Page range: 223-225

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C 12 H 20 N 2 OS 4 V, triclinic, P 1̄ (no. 2), a = 7.0892(2) Å, b = 8.8797(2) Å, c = 13.8486(3) Å, α = 87.1010(10)°, β = 82.3160(10)°, γ = 71.4110(10)°, V = 818.84(3) Å 3 , Z = 2, R gt ( F ) = 0.0249, wR ref ( F 2 ) = 0.0707, T = 150(2) K.
Open Access
Crystal structure of 2-((tert-butyldimethylsilyl)oxy)-5-methylisophthalaldehyde, C₁₅H₂₂O₃Si

December 19, 2018

Peilian Liu, Na Liu, Cuiling Liu, Yongmei Jia, Guohua Zhou, Ying Sun

Page range: 227-229

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C 15 H 22 O 3 Si, monoclinic, P 2 1 / n (no. 14), a = 10.0187(5) Å, b = 11.9948(5) Å, c = 13.6259(7) Å, β = 102.521(5)°, V = 1598.51(14) Å 3 , Z = 4, R gt ( F ) = 0.0485, wR ref ( F 2 ) = 0.1273, T = 293 K.
Open Access
Crystal structure of catena-poly[tetraiodido-(μ₂-1,4-bis(2-methyl-1H-imidazol-1-yl)benzene-κ²N:N′)dimercury(II)], C₁₄H₁₄Hg₂I₄N₄

December 5, 2018

Bing-Jie Hou, Ibrahim Omar Osman, Dong-Cheng Hu, Jia-Cheng Liu

Page range: 231-232

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C 14 H 14 Hg 2 I 4 N 4 , monoclinic, P 2 1 / c , a = 4.3592(11) Å, b = 20.116(5) Å, c = 12.713(3) Å, β = 96.838(5)°, Z = 2, V = 1106.9(5) Å 3 , R gt ( F ) = 0.0362, wR ref ( F 2 ) = 0.0863, T = 296(2) K.
Open Access
Crystal structure of tetrakis(n-butyl)-(μ₂-1,2-bis(2-oxidobenzoyl)hydrazine-1,2-diido-κ⁶N,O,O′:N′,O′′,O′′′)ditin(IV), C₃₀H₄₄N₂O₄Sn₂

November 30, 2018

Zhang Cuihong, Wei Xiaohu, Yang Liguo, He Zhenzhen, Wu Jiaze, Liu Hao, Li Xin, Miao Zongcheng

Page range: 233-234

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C 30 H 44 N 2 O 4 Sn 2 , monoclinic, P 2 1 / c , a = 8.8810(8) Å, b = 16.8999(13) Å, c = 10.5705(10) Å, β = 92.0460(10)°, V = 1585.5(2) Å 3 , Z = 2, R gt ( F ) = 0.0660, wR ref ( F 2 ) = 0.1528, T = 298(2) K.
Open Access
Crystal structure of ethyl 2-amino-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano-[4,3-b]pyran-3-carboxylate, C₁₉H₁₉NO₇

December 22, 2018

Xiao-Qiong Zeng, Qin Tang, Xian-Hong Xie, Jing Feng, Juan-Juan Hu

Page range: 235-236

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C 19 H 19 NO 7 , monoclinic, P 2 1 / n (no. 14), a = 9.140(2) Å, b = 14.233(2) Å, c = 13.847(3) Å, β = 99.246(4)°, V = 1777.9(6) Å 3 , Z = 4, R gt ( F ) = 0.0413, wR ref ( F 2 ) = 0.0979, T = 296 K.
Open Access
Crystal structure of 3-aminopyrazine-2-carbohydrazide, C₅H₇N₅O

October 30, 2018

Liang-Liang Gao, Shan-Xiu Huang, Wei-Na Wu

Page range: 237-238

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C 6 H 8 N 4 O, monoclinic, P 2 1 / c (no. 14), a = 10.1022(8) Å, b = 9.4818(8) Å, c = 7.0832(6) Å, β = 94.1380(10)°, V = 676.71(10) Å 3 , Z = 4, R gt ( F ) = 0.0357, wR ref ( F 2 ) = 0.1088, T = 296(2) K.
Open Access
Crystal structure of ethanol-bis(N-((5-(ethoxycarbonyl)-3,4-dimethyl-1H-pyrrol-2-yl)methylene)benzohydrazonato-κ²N,O)copper(II), C₃₆H₄₂N₆O₇Cu

October 30, 2018

Wen-Zhao Xue, Qiang Hu, Yu-Fei Song, Wei-Na Wu

Page range: 239-241

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C 20 H 2 9N 3 O 5 , triclinic, P 1̄ (no. 2), a = 8.482(6) Å, b = 15.272(12) Å, c = 15.285(12) Å, a = 112.024(11)°, β = 95.325(9)°, γ = 98.958(9)°, V = 1788(2) Å 3 , Z = 2, R gt ( F ) = 0.0570, wR ref ( F 2 ) = 0.1687, T = 296(2) K.
Open Access
Crystal structure of 3-methyl-2-oxo-2H-chromen-7-yl propionate, C₁₃H₁₂O₄

October 25, 2018

Bei-Bei Wang, Chuan-Yi Zang, Ling Zhang, Wei-Na Wu

Page range: 243-244

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C 13 H 12 O 4 , triclinic, P 1̄ (no. 2), a = 6.141(5) Å, b = 8.108(6) Å, c = 12.234(9) Å, α = 79.257(12)°, β = 76.820(12)°, γ = 74.687(11)°, V = 566.8(7) Å 3 , Z = 2, R gt ( F ) = 0.0515, wR ref ( F 2 ) = 0.1575, T = 296(2) K.
Open Access
Crystal structure of 2-(dimethylamino)ethyl 4-aminobenzoate, C₁₁H₁₆N₂O₂

December 7, 2018

Linglan Li, Hui Liu, Zhongjun Wu, Junfeng Miao, Shu Zhang

Page range: 245-246

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C 11 H 16 N 2 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.1516(10) Å, b = 13.711(2) Å, c = 13.7392(18) Å, V = 1158.8(3) Å 3 , Z = 4, R gt ( F ) = 0.0657, wR ref ( F 2 ) = 0.1940, T = 293(2) K.
Open Access
Crystal structure of 3-(benzo[d]thiazol-2-ylamino)isobenzofuran-1(3H)-one, C₁₅H₁₀N₂O₂S

October 25, 2018

Ai-Ping Xing, Dai Zeng, Shu-Ling Zhang, Da-Feng Guo, Yi-Xin Chu

Page range: 247-248

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C 15 H 10 N 2 O 2 S, monoclinic, Cc (no. 9), a = 10.7988(7) Å, b = 15.7684(10) Å, c = 8.5906(6) Å, β = 112.302(8)°, V = 1353.38(17) Å 3 , Z = 4, R gt ( F ) = 0.0353, wR ref ( F 2 ) = 0.0922, T = 293(2) K.
Open Access
Crystal structure of 3-((1H-benzo[d]imidazol-2-yl)amino)-2-(1H-benzo[d]imidazol-2-yl)isoindolin-1-one, C₂₂H₁₆N₆O

October 25, 2018

Dai Zeng, Ai-Ping Xing, Jun-Jun Wei, Yi-Xin Chu, Shu-Ling Zhang

Page range: 249-251

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C 22 H 16 N 6 O, monoclinic, P 2 1 / c (no. 14), a = 13.2081(5) Å, b = 23.3620(11) Å, c = 12.2769(5) Å, β = 102.345(4)°, V = 3700.7(3) Å 3 , Z = 8, R gt ( F ) = 0.0648, wR ref ( F 2 ) = 0.1730, T = 293(2) K.
Open Access
Crystal structure of (2,2′-bipyridine-κ²N,N′)bis(4-(dimethylamino)phenyldiphenylphosphane-κP)copper(I) tetrafluoroborate, C₅₀H₄₈BCuF₄N₄P₂

December 11, 2018

Atif Fazal, Mohammed Fettouhi

Page range: 253-254

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C 50 H 48 BCuF 4 N 4 P 2 , orthorhombic, Pnma (no. 62), a = 24.166(2) Å, b = 19.5652(18) Å, c = 9.6477(9) Å, Z = 4, V = 4561.6(7) Å 3 , R gt ( F ) = 0.0494, wR ref ( F 2 ) = 0.1546, T = 298 K.
Open Access
Crystal structure of citric acid–acetonitrile (1/1), C₈H₁₁NO₇

October 25, 2018

Yang Liu, Xiao-Yuan Zheng, Liu-Lei Qin, Chun-Li Zhu, Zunqi Liu

Page range: 255-256

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C 8 H 11 NO 7 , triclinic, P 1̄ (no. 2), a = 5.5944(13) Å, b = 10.402(3) Å, c = 10.666(3) Å, α = 110.297(2) o , β = 101.342(3) o , γ = 104.701(2) o , V = 534.6(2) Å 3 , Z = 2, R gt ( F ) = 0.0318, wR ref ( F 2 ) = 0.0833, T = 293(2) K.
Open Access
Crystal structure of diethyl 2-(4-methoxyphenyl)-1-phenyl-1,2-dihydropyridine-3,5-dicarboxylate, C₂₄H₂₅NO₅

October 25, 2018

Hong-Bo Tan, Jiang-Ping Meng

Page range: 257-258

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C 24 H 25 NO 5 , triclinic, P 1̄, a = 9.2625(8) Å, b = 10.5974(10) Å, c = 11.7431(11) Å, α = 77.836(8)°, β = 87.564(8)°, γ = 66.951(9)°, V = 1035.83(17) Å 3 , Z = 2, R gt ( F ) = 0.0404, wR ref ( F 2 ) = 0.0985, T = 107.5 K.
Open Access
The crystal structure of poly[triaqua-bis(μ₃-2,5-dihydroxyterephthalato-κ⁴O,O′:O′′:O′′′)-(μ₄-oxalato-κ⁴O,O′:O′′,O′′′)cerium(III)], C₉H₁₀CeO₁₁

December 15, 2018

Li Xue, Sun Han-Yang, Han Shuang, Wang Jia-Jun, Mao Hao-Yan, Liu Chun-Ling, Zhang Shou-Cai, Li Chuan-Bi

Page range: 259-260

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C 9 H 10 CeO 11 , triclinic, P 1̄ (no. 2), a = 6.9100(14) Å, b = 9.1700(18) Å, c = 10.720(2) Å, α = 69.53(3)°, β = 83.56(3)°, γ = 87.01(3)°, V = 632.3(2) Å 3 , Z = 2, R gt ( F ) = 0.0265, wR ref ( F 2 ) = 0.0487, T = 298(2) K.
Open Access
Crystal structure of 1-(5-(anthracen-9-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, C₂₆H₂₂N₂O₂

November 30, 2018

Qi Feng, Jiali Wang, Wenhui Huan, Jiadan Lu, Guowang Diao

Page range: 261-263

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C 26 H 22 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 16.4367(8) Å, b = 12.7804(6) Å, c = 19.5474(8) Å, β = 96.1700(14)°, V = 4082.5(3) Å 3 , Z = 8, R gt ( F ) = 0.0516, wR ref ( F 2 ) = 0.1195, T = 273(2) K.
Open Access
Synthesis and crystal structure of 5-(8-(((2-carboxyethyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate trihydrate, C₁₉H₂₃NO₁₂S

December 7, 2018

Hai-Lin Chen, Xiu-Ju Yin

Page range: 265-267

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C 19 H 23 NO 12 S, triclinic, P 1̄ (no. 2), a = 8.3926(9) Å, b = 9.0469(6) Å, c = 15.3442(15) Å, α = 78.195(7)°, β = 74.352(9)°, γ = 70.169(8)°, V = 1047.08(18) Å 3 , Z = 2, R gt ( F ) = 0.0538, wR ref ( F 2 ) = 0.1289, T = 293(2) K.
Open Access
Crystal structure of rac-trans-6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromophenolato-κ⁴N,N′,O,O′)-bis(methanol)cobalt(III) chloride, C₂₂H₂₅Br₂Co₈N₂O₄Cl

October 25, 2018

Qiong Wu, Qiaoli Zi, Jindong Li, Yajuan Li

Page range: 269-270

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C 22 H 25 Br 2 Co 8 N 2 O 4 Cl, monoclinic, P 2 1 / c (no. 14), a = 7.8246(13) Å, b = 23.695(4) Å, c = 13.225(2) Å, β = 95.987(17)°, V = 2438.6(7) Å 3 , Z = 4, R gt ( F ) = 0.0844, wR ref ( F 2 ) = 0.2192, T = 173(2) K.
Open Access
Crystal structure of 1-((R)-(2′-(dimethylamino)-[1,1′-binaphthalen]-2-yl))-3-((S)-2-hydroxy-1-phenylethyl)thiourea, C₃₁H₂₉N₃OS

October 31, 2018

Jun na Zhang, Peng Liu, He Wei

Page range: 271-273

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C 31 H 29 N 3 OS, orthorhombic, P 2 1 2 1 2 1 , (no. 19), a = 8.7252(5) Å, b = 15.6732(8) Å, c = 18.9746(9) Å, V = 2594.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0689, wR ref ( F 2 ) = 0.1179, T = 276(2) K.
Open Access
Crystal structure and photochemical property of 1,8-bis(p-tolylthio)pyrene, C₃₀H₂₂S₂

December 22, 2018

Wen Bin, Xu Li-Hua, Liu Na, Ni Zhong-Hai

Page range: 275-278

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C 30 H 22 S 2 , triclinic, P 1̄ (no. 2), a = 7.604(4) Å, b = 11.556(5) Å, c = 13.090(7) Å, α = 93.964(8)°, β = 93.209(8)°, γ = 90.619(9)°, V = 1145.7(10) Å 3 , Z = 2, R gt ( F ) = 0.0497, wR ref ( F 2 ) = 0.1295, T = 296(2) K.
Open Access
Crystal structure of 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate, C₁₄H₁₈ClN₅O₄

October 25, 2018

Jian-Ge Wang, Li Ji

Page range: 279-280

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C 14 H 18 ClN 5 O 4 , triclinic, P 1̄, a = 7.7966(3) Å, b = 8.2167(4) Å, c = 12.9574(7) Å, α = 82.444(4)°, β = 81.604(4)°, γ = 86.751(4)°, V = 813.46(7) Å 3 , Z = 2, R gt ( F ) = 0.0454, wR ref ( F 2 ) = 0.1131, T = 293(2) K.
Open Access
Crystal structure of ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, C₁₁H₁₂N₄O₂

December 5, 2018

Zhiqiang Feng, Yujie Liu, Yuxuan He, Wenjing Sha, Jie Tang

Page range: 281-283

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C 11 H 12 N 4 O 2 , monoclinic, Cc (no. 9), a = 16.146(5) Å, b = 14.653(4) Å, c = 14.621(4) Å, β = 106.052(8)°, V = 3324.3(16) Å 3 , Z = 12, R gt ( F ) = 0.0415, wR ref ( F 2 ) = 0.0965, T = 173(2) K.
Open Access
Crystal structure of trichloro-(4-chloro-2,6-bis(diphenylmethyl)-N-((pyridin-2-yl)methylene)aniline)-aluminum dichloromethane solvate, C₃₉H₃₁AlCl₆N₂

December 19, 2018

Hailan Zhong, Ziyi Peng, Hao Lei

Page range: 285-287

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C 39 H 31 AlCl 6 N 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 10.09080(1) Å, b = 18.5381(2) Å, c = 19.7643(2) Å, V = 3697.19(7) Å 3 , Z = 4, R gt ( F ) = 0.0516, wR ref ( F 2 ) = 0.1430, T = 150(10) K.
Open Access
Bis(ethanol-κO)-bis(6-aminopicolinato-κ²N,O)magnesium(II), C₁₆H₂₂O₆N₄Mg

December 15, 2018

Tai Xi-Shi, Jiang Guan-Yu, Yu Ya-Ting, Yao Hui, Wang Ai-Jing

Page range: 289-290

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C 16 H 22 O 6 N 4 Mg, triclinic, P 1̄ (no. 2), a = 7.3165(15) Å, b = 8.2660(17) Å, c = 8.7599(18) Å, α = 71.60(3)°, β = 77.07(3)°, γ = 64.19(3)°, V = 450.2(2) Å 3 , Z = 1, R gt ( F ) = 0.0513, wR ref ( F 2 ) = 0.1335, T = 293(2) K.
Open Access
Crystal structure of catena-poly[aqua-(μ₂-1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ²O:O′)-(1,10-phenanthrolin-κ²N,N′)copper(II)], C₁₆H₂₀B₁₀CuN₂O₅

December 19, 2018

Yang Liguo, Wang Xin, Niu Yongsheng, Song Haixiang, Tian Dayong, Gao Linna

Page range: 291-293

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C 16 H 20 B 10 CuN 2 O 5 , monoclinic, P 2 1 / n (no. 14), a = 7.4252(8) Å, b = 13.5409(14) Å, c = 23.020(3) Å, β = 94.4880(10)°, V = 2307.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0583, wR ref ( F 2 ) = 0.1320, T = 298(2) K [1], [2], [3].
Open Access
Crystal structure of (1,2-dicarba-closo-dodecaborane-1,2-dithiolato κ²S,S′)-bis(1,10-phenanthroline κ²N,N′)zinc(II), C₂₆H₂₆B₁₀Zn₄S₂

December 10, 2018

Yang Liguo, Wang Xin, Niu Yongsheng, Song Haixiang, Tian Dayong, Gao Linna

Page range: 295-297

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C 26 H 26 B 10 Zn 4 S 2 , monoclinic, P 2 1 / n , a = 14.3766(13) Å, b = 11.6360(11) Å, c = 18.9460(15) Å, β = 104.9630(10)°, V = 3061.9(5) Å 3 , Z = 4, R gt ( F ) = 0.0451, wR ref ( F 2 ) = 0.0999, T = 298(2) K [1–3].
Open Access
Crystal structure of diaqua-bis(1,10-phenanthroline-κ²N,N′)-bis(1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ³O,O′:O′′) dicobalt(II) — ethanol (1/1), C₃₄H₄₆B₂₀Co₂N₄O₁₁

December 7, 2018

Wang Xin, Kan Jinglan, Yang Liguo, Niu Yongsheng, Song Haixiang, Tian Dayong, Gao Linna

Page range: 299-301

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C 34 H 46 B 20 Co 2 N 4 O 11 , triclinic, P 1̄, a = 10.372(11) Å, b = 11.920(12) Å, c = 12.141(13) Å, α = 61.136(11)°, β = 85.699(10)°, γ = 67.497(11)°, V = 1203(2) Å 3 , Z = 1, R gt ( F ) = 0.0410, wR ref ( F 2 ) = 0.1065, T = 298(2) K.
Open Access
Crystal structure of ((5,5′-dimethoxy-2,2′-(1,2-phenylenebis(nitrilomethylidyne)))diphenolato-κ⁴O,N,O′,N′)copper(II), C₂₂H₁₈N₂CuO₄

December 5, 2018

Zhao Ling, Wang Xin, Yang Liguo, Gao Linna

Page range: 303-304

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C 22 H 18 N 2 CuO 4 , monoclinic, P 2 1 / n (no. 14), a = 15.7861(11) Å, b = 5.3211(4) Å, c = 21.6563(16) Å, β = 92.129(4)°, V = 1817.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0254, wR ref ( F 2 ) = 0.0765, T = 298 K.
Open Access
Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethan-1-ol, C₁₇H₁₄BrNO₂

October 25, 2018

Malose J. Mphahlele

Page range: 305-307

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C 17 H 14 BrNO 2 , monoclinic, C 2/ c (no. 15), a = 31.437(3) Å, b = 5.5224(5) Å, c = 16.6545(16) Å, β = 94.703(4)°, V = 2881.6(5) Å 3 , Z = 8, R gt ( F ) = 0.0251, wR ref ( F 2 ) = 0.067, T = 173(2) K.
Open Access
Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(diethylamino)spiro[isoindoline-1,9′-xanthen]-3-one, C₃₄H₃₄N₅O₂Br

December 15, 2018

Ai-Ping Xing, Dai Zeng, Xin-Ling Wang

Page range: 309-311

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C 34 H 34 N 5 O 2 Br, orthorhombic Pca 2 1 (no. 29), a = 21.3626(13) Å, b = 11.8358(8) Å, c = 12.0998(9) Å, Z = 4, V = 3059.38(4) Å 3 , R gt ( F ) = 0.0507, wR ref ( F 2 ) = 0.1401, T = 173 K.
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Crystal structure of (Z)-2-((adamantan-1-ylimino)methyl)-5-methoxyphenol, C₁₈H₂₃NO₂

December 5, 2018

Qiong Zhong

Page range: 313-314

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C 18 H 23 NO 2 , monoclinic, C 2/ c (no. 15), a = 21.057(3) Å, b = 6.5535(7) Å, c = 24.069(4) Å, β = 113.535(3)°, V = 2780.9(5) Å 3 , Z = 8, R gt ( F ) = 0.0607 , wR ref ( F 2 ) = 0.1204, T = 293(2) K.
Open Access
Crystal structure of bis((E)-2-ethoxy-6-(((2-hydroxyethyl)imino)methyl)phenolato-κ²N,O)copper(II), C₂₂H₂₈N₂CuO₆

December 5, 2018

Wang Xin, Kan Jinglan, Zhang Yonghui, Yang Liguo, Gao Linna

Page range: 315-316

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C 22 H 28 N 2 CuO 6 , monoclinic, P 2 1 / c (no. 14), a = 8.5942(7) Å, b = 25.888(2) Å, c = 4.8204(4) Å, β = 97.785(3)°, V = 1062.60(15) Å 3 , Z = 2, R gt ( F ) = 0.0313, wR ref ( F 2 ) = 0.0878, T = 296(2) K.
Open Access
Crystal structure of 2,3-diphenyl-5,6-bis(4-methoxyphenyl)pyrazine, C₃₀H₂₄N₂O₂

December 7, 2018

Dongmi Li, Juanzi Lianglu, Yuanyuan Peng

Page range: 317-319

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C 30 H 24 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 11.4545(6) Å, b = 21.0333(10) Å, c = 10.0604(5) Å, β =103.571(6)°, V = 2356.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0652, wR ref ( F 2 ) = 0.1414, T = 289.3(7) K.
Open Access
Crystal structure of dichlorido bis[1-((2,4-dimethyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN]cadmium(II), Cd(C₁₂H₁₃N₅)₂Cl₂

December 15, 2018

Xia Wang, Ning Ling, Jing Yang, Ning Song

Page range: 321-323

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[Cd(C 12 H 13 N 5 ) 2 Cl 2 ], monoclinic, Cc (no. 9), a = 9.3081(2) Å, b = 11.7526(3) Å, c = 24.9876(6) Å, β = 94.184(2)°, Z = 4, V = 2726.23(11) Å 3 , R gt ( F ) = 0.0412, wR ref ( F 2 ) = 0.0581, T = 293(2) K.
Open Access
The crystal structure of 1,5-di(naphthalen-2-yl)-3-(pyridin-2-yl)pentane-1,5-dione, C₃₀H₂₃NO₂

December 7, 2018

Zhenyu Zuo, Kunxia Hu, Xiao Song, Hong Zhang, Zhishu Tang

Page range: 325-326

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C 30 H 23 NO 2 , orthorhombic, Pbca (no. 61), a = 10.7674(16) Å, b = 19.542(3) Å, c = 20.970(3) Å, V = 4412.5(11) Å 3 , Z = 8, R gt ( F ) = 0.0350, wR ref ( F 2 ) = 0.0963, T = 153 K.
Open Access
The crystal structure of 2-((3-methylthiophen-2-yl)methylene)malononitrile, C₉H₆N₂S

December 15, 2018

Abdullah G. Al-Sehemi, Mehboobali Pannipara, Abdullah M. Asiri, Muhammad Nadeem Arshad, Abul Kalam

Page range: 327-328

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C 9 H 6 N 2 S, triclinic, P 1̄ (no. 2), a = 3.9497(4) Å, b = 9.0268(13) Å, c = 12.2935(16) Å, V = 431.37(10) Å 3 , Z = 2, R gt ( F ) = 0.0496, wR ref ( F 2 ) = 0.0747, T = 296(2) K.
Open Access
The crystal structure of 1,4-dinitroso-2,3,5,6-tetraacetoxy-piperazine, C₁₂H₁₆N₄O₁₀

December 11, 2018

Xue Mei, Li Yunlu, Wang Jianlong, Chen Jun, Li Jianghong

Page range: 329-330

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C 12 H 16 N 4 O 10 , monoclinic, C 2/ c (no. 15), a = 21.953(3) Å, b = 7.0292(9) Å, c = 13.5984(19) Å, β = 127.569(4)°, V = 1663.23(40) Å 3 , Z = 4, R gt ( F ) = 0.0555, wR ref ( F 2 ) = 0.1224, T = 122(2) K.
Open Access
Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C₁₅H₆Cl₆O₄

November 30, 2018

Shi Yun-Lian, Huang Tao, Nie Xu-Liang, Peng Da-Yong, Liu Jin-Chuan, Li Bao-Tong

Page range: 331-332

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[C 15 H 6 Cl 6 O 4 ], monoclinic, Cc (no. 9), a = 12.0980(11) Å, b = 10.0628(9) Å, c = 15.1518(14) Å, β = 104.231(1)°, V = 1788.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0214, wR ref ( F 2 ) = 0.0568, T = 296(2) K.
Open Access
The crystal structure of trans-dichlorido-bis(pyridine-2-carboxylato-κ²N,O)platinum(IV), C₁₂H₈Cl₂N₂O₄Pt

November 9, 2018

Kwang Ha

Page range: 333-334

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C 12 H 8 Cl 2 N 2 O 4 Pt, triclinic, P 1̄ (no. 2), a = 6.6940(3) Å, b = 9.5552(6) Å, c = 10.7954(6) Å, α = 83.8311(19)°, β = 88.1577(16)°, γ = 86.8053(17)°, V = 685.20(7) Å 3 , Z = 2, R gt ( F ) = 0.0244, wR ref ( F 2 ) = 0.0601, T = 223(2) K.
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Crystal structure of 3-nitroquinoline 1-oxide, C₉H₆N₂O₃

November 30, 2018

Xia Mi, Xinling Wang

Page range: 335-336

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C 9 H 6 N 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 8.7156(3) Å, b = 9.4003(3) Å, c = 19.8188(7) Å, V = 1610.12(10) Å 3 , Z = 8, R gt ( F ) = 0.0491, wR ref ( F 2 ) = 0.1347, T = 291(2) K.
Open Access
Crystal structure of 2-(piperidin-1-ium-4-yl)-1H-benzo[d]imidazol-3-ium dichloride dihydrate, C₁₂H₂₁Cl₂N₃O₂

December 7, 2018

Bin Cai, Shu-Jing Li, Gui-Jie Liu, Xiao-Ming Shi, Chao-Jun Du

Page range: 337-339

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C 12 H 21 Cl 2 N 3 O 2 , monoclinic, P 2 1 / c (no. 14), a = 7.2704(7) Å, b = 11.4750(12) Å, c = 18.7004(19) Å, β = 95.475(2)°, V = 1553.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0372, wR ref ( F 2 ) = 0.1022, T = 296(2) K.
Open Access
Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene, C₃₀H₅₀O

November 30, 2018

Kang He, Lin-Lin Fan, Tian-Tai Wu, Hong Xu, Qi-Long Zhang, Juan Zou

Page range: 341-342

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C 30 H 50 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.7397(7) Å, b = 12.0404(12) Å, c = 30.864(3) Å, V = 2504.6(4) Å 3 , Z = 4, R gt ( F ) = 0.0555, wR ref ( F 2 ) = 0.1234, T = 293(2) K.
Open Access
Crystal structure of (E)-4-((2-fluoro-3-(trifluoromethyl)benzylidene)amino)-3-methyl-1H-1,2,4-triazole-5(4H)-thione, C₁₁H₈F₄N₄S

December 7, 2018

Mohamed Reda Aouad, Mouslim Messali, Nadjet Rezki, Abdelkader Zarrouk, Ismail Warad

Page range: 343-344

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C 11 H 8 F 4 N 4 S, monoclinic, P 2 1 / c (no. 14), a = 4.4773(4) Å, b = 4.1089(11) Å, c = 20.1449(16) Å, β = 95.425(4)°, V = 1266.85(18) Å 3 , Z = 4, R gt ( F ) = 0.0383, wR ref ( F 2 ) = 0.1176, T = 273(2) K.
Open Access
Crystal structure of 5-(4-fluorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, C₉H₈FN₃S

December 10, 2018

Mohamed Reda Aouad, Mouslim Messali, Khalid Alharbi, Nadjet Rezki, Abdelkader Zarrouk, Ismail Warad

Page range: 345-346

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C 9 H 8 FN 3 S, monoclinic, P 2 1 / c , a = 15.8636(6) Å, b = 7.6641(3) Å, c = 16.4472(7) Å, β = 106.016(2)°, V = 1922.04(13) Å 3 , Z = 4, R gt ( F ) = 0.0348, wR ref ( F 2 ) = 0.1001, T = 296(2) K.
Open Access
Crystal structure of catena-poly[(1-(4-fluorophenyl)-N–(5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine], (C₁₂H₁₄FN₃S₂Sn)_n

December 15, 2018

Junshan Sun

Page range: 347-348

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C 12 H 14 FN 3 S 2 Sn, orthorhombic, Pbca (no. 61), a = 12.954(3) Å, b = 11.494(3) Å, c = 20.825(5) Å, V = 3100.7(13) Å 3 , Z = 8, R gt ( F ) = 0.0274, wR ref ( F 2 ) = 0.0658, T = 298(2) K.
Open Access
The crystal structure of 4-(methoxycarbonyl)benzoic acid, C₉H₈O₄

November 16, 2018

Yong Li, Jingjing Wang

Page range: 349-350

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C 9 H 8 O 4 , monoclinic, P 2 1 / c (no. 14), a = 4.8541(19) Å, b = 5.880(2) Å, c = 29.1938(11) Å, β = 91.430(5)°, V = 833.0(5) Å 3 , Z = 4, R gt ( F ) = 0.0477, wR ref ( F 2 ) = 0.1259, T = 296(2) K.
Open Access
The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C₃₄H₅₄N₁₀O₆S₆

November 9, 2018

Zhenyu Zuo, Hao Yan, Xiao Song, XiaoMei Song, Dongyan Guo

Page range: 351-353

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C 34 H 54 N 10 O 6 S 6 , monoclinic, P 2 1 (no. 4), a = 11.8434(5) Å, b = 11.2298(6) Å, c = 17.0706(8) Å, β = 94.661(2)°, V = 2262.86(19) Å 3 , Z = 4, R gt ( F ) = 0.0287, wR ref ( F 2 ) = 0.0809, T = 150(2) K.
Open Access
Crystal structure of N′-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C₁₈H₁₇N₅O₂

November 13, 2018

Mohammad Hayal Alotaibi, Hanan A. Mohamed, Bakr F. Abdel-Wahab, Amany S. Hegazy, Benson M. Kariuki, Gamal A. El-Hiti

Page range: 355-357

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C 18 H 17 N 5 O 2 , monoclinic, P 2 1 / n (no. 14), a = 20.3702(7) Å, b = 7.3482(2) Å, c = 23.2504(10) Å, β = 106.507(4)°, V = 3336.8(2) Å 3 , Z = 8, R gt ( F ) = 0.0571, wR ref ( F 2 ) = 0.1507, T = 296(2) K.
Open Access
Crystal structure of 3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one, C₁₆H₁₂O₂

December 15, 2018

Jireh B. M. Smit, Charlene Marais, Frederick P. Malan, Barend C. B. Bezuidenhout

Page range: 359-360

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C 16 H 12 O 2 , monoclinic, P 2 1 / c (no. 14), a = 15.7947(10) Å, b = 6.2958(4) Å, c = 12.2787(8) Å, β = 94.216(2)°, V = 1217.69(14) Å 3 , Z = 4, R gt ( F ) = 0.0398, wR ref ( F 2 ) = 0.1336, T = 150(2) K.
Open Access
Crystal structure of N′-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C₁₃H₁₁N₃O₂

December 19, 2018

Mohammad Hayal Alotaibi, Hanan A. Mohamed, Bakr F. Abdel-Wahab, Amany S. Hegazy, Benson M. Kariuki, Gamal A. El-Hiti

Page range: 361-362

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C 13 H 11 N 3 O 2 , triclinic, P 1̄ (no. 2), a = 7.889(2) Å, b = 9.367(3) Å, c = 9.630(3) Å, α = 64.82(3)°, β = 106.507(4)°, γ = 84.57(2), V = 585.1(3) Å3, Z = 2, R gt ( F ) = 0.0550, wR ref ( F 2 ) = 0.1455, T = 293(2) K.
Open Access
Crystal structure of hexa-μ₂-chlorido-μ₄-oxido-tetrakis(1-vinyl-1H-imidazole-κN)tetracopper(II), C₂₀H₂₄Cu₄Cl₆N₈O

December 8, 2018

Ting Li, Zheng Xing

Page range: 363-365

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C 20 H 24 Cu 4 Cl 6 N 8 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 12.159(7) Å, b = 14.299(8) Å, c = 19.186(11) Å, V = 3336(3) Å 3 , Z = 4, R gt ( F ) = 0.0382, wR ref ( F 2 ) = 0.0615, T = 296(2) K.
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Crystal structure of N′-((1E,2E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-ylidene)-4-methylbenzenesulfonohydrazide, C₂₂H₂₂O₅N₂S

December 5, 2018

Xiang Yu, Yan Qin, Jing Yan, Ya-Fang Chen

Page range: 367-368

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C 22 H 22 O 5 N 2 S, monoclinic, P 2 1 / n (no. 14), a = 8.1080(2) Å, b = 14.4763(4) Å, c = 18.2819(5) Å, β = 95.270(3)°, V = 2136.75(10) Å 3 , Z = 4, R gt ( F ) = 0.0488, wR ref ( F 2 ) = 0.1220, T = 291 K.
Open Access
Crystal structure of 2-acetyl pyrene, C₁₈H₁₂O

December 5, 2018

Yun-Hui Xu, Bao-Xi Miao, Ran Zhang

Page range: 369-371

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C 18 H 12 O, triclinic, P 1̄ (no. 2), a = 8.0788(16) Å, b = 8.1221(16) Å, c = 18.162(4) Å, α = 91.01(3)°, β = 94.62(3)°, γ = 92.80(3)°, V = 1186.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0415, wR ref ( F 2 ) = 0.1044, T = 293(2) K.

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