Zeitschrift für Kristallographie - New Crystal Structures

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Volume 232, Issue 4

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Cover and Frontmatter

July 6, 2017

Page range: i-vi

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Open Access
Crystal structure of poly[diaqua-(μ₂-4,4′-bipyridine-κ²N:N′)manganese(II)] bis(4-chlorobenzenesulfonate) – 4,4′-bipyridine – water (1/1/2) C₄₂H₄₀Cl₂MnN₆O₁₀S₂

June 26, 2017

Xiao-Miao Chen, Zheng-Jun Liu, Tao-Li Deng

Page range: 513-515

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C 42 H 40 Cl 2 MnN 6 O 10 S 2 , monoclinic, C 2/ c (no. 15), a = 16.822(14) Å, b = 11.552(9) Å, c = 22.021(17) Å, β = 91.920(13)°, V = 4277(6) Å 3 , Z = 4, R gt ( F ) = 0.0641, wR ref ( F 2 ) = 0.1654, T = 296 K.
Open Access
The crystal structure of 1,2-bis[2-methyl-5-(3-cyanophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C₂₉H₁₆F₆N₂S₂

May 13, 2017

Luo-Na Lei, Wen-Yuan Xu, Jian-Min Yi

Page range: 517-519

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C 29 H 16 F 6 N 2 S 2 , monoclinic, C 2/ c , a = 18.910(3) Å, b = 8.5720(14) Å, c = 16.757(3) Å, β = 100.474(2)°, V = 2670.9(7) Å 3 , Z = 4, R gt ( F ) = 0.0825 , wR ref ( F 2 ) = 0.1833 , T = 296(2) K.
Open Access
Crystal structure of the first characterized polymeric copper and sodium complex diaqua-(tris-acetato-κO,O′)(μ²-acetato-κO′′)dinatrium copper(II) monohydrate, C₈H₁₈CuNa₂O₁₁

June 26, 2017

Syed Saeed Ali, Alanazi Amer, Abdul-Rahman M. Al-Obaid, Eric C. Hosten, Richard Betz, Huda Salem Al-Salem, Ahmed Bari

Page range: 521-523

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C 8 H 18 CuNa 2 O 11 , monoclinic, P 2 1 / n (no. 14), a = 9.9625(5) Å, b = 14.0145(7) Å, c = 11.3376(6) Å, β = 97.602(2)°, V = 1569.04(14) Å 3 , Z = 4, R gt ( F ) = 0.0178, wR ref ( F 2 ) = 0.0482, T = 200 K.
Open Access
The crystal structure of the Schiff base (E)-2,6-diisopropyl-N-(pyridin-3-yl-methylene)aniline, C₁₈H₂₂N₂

May 4, 2017

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

Page range: 525-526

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C 18 H 22 N 2 , monoclinic, P 2 1 / c (no. 14), a = 8.1226(5) Å, b = 17.4745(10) Å, c = 11.1822(6) Å, β = 102.549(2)°, V = 1549.27(15) Å 3 , Z = 4, R gt ( F ) = 0.0397, wR ref ( F 2 ) = 0.1071, T = 100 K.
Open Access
Crystal structure of methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C₂₀H₂₂N₂O₅

May 8, 2017

Jing Meng, Hai-Yu Zhou, Feng Sui

Page range: 527-528

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C 20 H 22 N 2 O 5 , tetragonal, P 4̅ 2 1 c (no. 114), a = 16.624(6) Å, c = 14.385(6) Å, V = 3975(3) Å 3 , Z = 8, R gt ( F ) = 0.0647, wR ref ( F 2 ) = 0.2119, T = 296(2) K.
Open Access
Crystal structure of bis(1,3-bis(diphenylphosphino)propane-κ²P,P′)silver(I) trifluorosulfonate–methanol (1:0.5), [Ag(C₂₇H₂₆P₂)]SO₃CF₃⋅0.5CH₃OH

May 8, 2017

Xiao Yu, Yue-Xue Li, Sen Lin, Yang-Zhe Cui, Qiong-Hua Jin

Page range: 529-531

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C 55.50 H 54 AgF 3 O 3.50 P 4 S, triclinic, P 1̅ (no. 2), a = 11.7859(10) Å, b = 12.8900(11) Å, c = 18.8971(17) Å, α = 109.742(2)°, β = 92.891(1)°, γ = 100.998(1)°, V = 2631.9(4) Å 3 , Z = 2, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.1129, T = 298(2) K.
Open Access
Crystal structure of μ-1,4-bis(diphenylphosphine)butane-2,9-dimethyl-1,10-phenanthroline-κ²N:N′-bis(cyano-κC)dicopper(I)]-water, C₅₈H₅₆Cu₂N₆O₂P₂

May 10, 2017

Yan-Ru Zhang, Zhi-Qiang Li, Min Liu, Kai-Lun Bi, Qiong-Hua Jin

Page range: 533-535

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C 58 H 56 Cu 2 N 6 O 2 P 2 , monoclinic, P 2 1 / n , a = 12.0546(9) Å, b = 13.1669(10) Å, c = 16.7151(12) Å, β = 101.845(2)°, V = 2596.6(3) Å 3 , Z = 4, R gt ( F ) = 0.0539, wR ref ( F 2 ) = 0.1431, T = 293(2) K.
Open Access
Crystal structure of N²,N⁶-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C₁₅H₂₃N₇O₄

May 18, 2017

Abd El-Galil E. Amr, Nagy M. Khalifa, Mohamed A. Al-Omar, Hazem A. Ghabbour

Page range: 537-539

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C 15 H 23 N 7 O 4 , orthorhombic, Aba 2, a = 18.4956(11) Å, b = 23.9806(16) Å, c = 8.1572(5) Å, V = 3618.0(4) Å 3 , Z = 8, R gt ( F ) = 0.0521, wR ref ( F 2 ) = 0.1144, T = 293(2) K.
Open Access
Crystal structure of 1,3-dimethyl-2-phenyl-1H-perimidin-3-ium iodide, C₁₉H₁₇IN₂

May 8, 2017

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

Page range: 541-543

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C 19 H 17 IN 2 , monoclinic, C 2/ c , a = 18.701(4) Å, b = 7.9230(16) Å, c = 24.069(6) Å, β = 111.168(2)°, V = 3325.6(13) Å 3 , Z = 8, R gt ( F ) = 0.0201, wR ref ( F 2 ) = 0.0462, T = 296(2) K.
Open Access
Crystal structure of diaqua-(2,2′-(butane-1,4-diyl)-bis(5-carboxy-1H-imidazole-4-carboxylato)-κ⁴O,O′,N,N′)cadmium(II) monohydrate, C₁₄H₁₈O₁₁N₄Cd

June 5, 2017

Ya-Xue Li, Dong-Xiao Wen, Meng-Jin An, Huai-Xia Yang

Page range: 545-547

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C 14 H 18 CdN 4 O 11 N 4 , triclinic, P 1̅ (no. 2), a = 9.5135(3) Å, b = 9.8632(3) Å, c = 11.1419(4) Å, α = 83.239(1)°, β = 82.000(1)°, γ = 61.461(1)°, V = 907.93(5) Å 3 , Z = 2, R gt ( F ) = 0.0288, wR ref ( F 2 ) = 0.0781, T = 293(2) K.
Open Access
Crystal structure of ethyl (E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl) acrylate, C₁₅H₁₄Cl₂FNO₃

May 10, 2017

Han-Xiao Liao, Bei-Bei Ying, Chao Shen, Peng-Fei Zhang

Page range: 549-551

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C 15 H 14 Cl 2 FNO 3 , triclinic, P 1̅ (no. 2), a = 8.5995(8) Å, b = 9.9579(9) Å, c = 10.1418(10) Å, α = 113.4900(10)°, β = 95.8730(10)°, γ = 96.1610(10)°, V = 781.81(13) Å 3 , Z = 2, R gt ( F ) = 0.0282, wR ref ( F 2 ) = 0.0788, T = 100(2)K.
Open Access
Crystal structure of bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-ol-κ²O,O′)-(N,N-dimethylformamide)zinc(II), C₄₃H₃₁Cl₂N₅O₅S₂Zn

May 8, 2017

Chun-Xiang Zhao, Yong-Jie Ding, Heng-Qiang Zhang, Chen-Ying Zhou, Quan-Zhong Wang, Xin Wang, Hui Zhao, Ya-Hong Chen, Jian-Ping Xie, Yun-Sheng Wang

Page range: 553-555

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C 43 H 31 C l2 N 5 O 5 S 2 Zn, monoclinic, C 2/ c (no. 15), a =16.9304(8) Å, b = 8.9706(5) Å, c = 27.6764(14) Å, β = 96.701(1)°, V = 4174.7(4) Å 3 , Z = 4, R gt (F) = 0.0350, wR ref (F 2 ) = 0.094, T = 296 K.
Open Access
Crystal structure of tetrakis(μ₃-2-(N-(2-hydroxyethyl)amino)ethoxo)-tetrachloro-tetra-cobalt(II) methanol solvate, C₁₇H₄₄Cl₄Co₄N₄O₉

June 24, 2017

Guo Yuhua, Yu Youzhu, Shi Weiyun, Wei Aimin, Wang Fengli

Page range: 557-559

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C 17 H 44 Cl 4 Co 4 N 4 O 9 , triclinic, P 1̅ (no. 2), a = 10.918(14) Å, b = 11.899(15) Å, c = 13.327(17) Å, α = 91.286(13)°, β = 91.755(14)°, γ = 111.673(13)°, V = 1607(4) Å 3 , Z = 2, R gt ( F ) = 0.0308, wR ref ( F 2 ) = 0.1257, T = 293(2) K.
Open Access
Crystal structure of 3-amino-1-(4-bromophenyl)-9-methoxy-1H-benzo[f]chromene-2-carbonitrile, C₂₁H₁₅BrN₂O₂

May 26, 2017

Hany M. Mohamed, Abd El-Galil E. Amr, Ahmed M. El-Agrody, Mohamed A. Al-Omar, Hazem A. Ghabbour

Page range: 561-563

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C 21 H 15 BrN 2 O 2 , triclinic, P 1̅ (no. 2), a = 8.6873(3) Å, b = 9.9252(3) Å, c = 11.0013(3) Å, α = 77.977(2)°, β = 70.989(2)°, γ = 89.321(2)°, V = 875.55(5) Å 3 , Z = 2, R gt ( F ) = 0.0369, wR ref ( F 2 ) = 0.1043, T = 296(2) K.
Open Access
Crystal structure of 2-amino-4-(4-isopropyl-phenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromene, C₂₂H₁₈N₂O₃

June 24, 2017

Chang-Hu Zhang

Page range: 565-566

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C 22 H 18 N 2 O 3 , orthorhombic, Pbca (no. 61), a = 14.8532(7) Å, b = 11.3579(6) Å, c = 22.1712(18) Å, V = 3740.3(4) Å 3 , Z = 8, R gt ( F ) = 0.0596, wR ref ( F 2 ) = 0.1653, T = 293(2) K.
Open Access
Crystal structure of 3-amino-8-methoxy-1-(4-methoxy phenyl)-1H-benzo[f]chromene-2-carbonitrile, C₂₂H₁₈N₂O₃

May 13, 2017

Ahmed M. Fouda, Abd El-Galil E. Amr, Ahmed M. El-Agrody, Mohamed A. Al-Omar, Hazem A. Ghabbour

Page range: 567-569

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C 22 H 18 N 2 O 3 , monoclinic, C 2/ c (no. 15), a = 35.4037(10) Å, b = 6.0294(2) Å, c = 20.1702(7) Å, β = 122.239(4)°, V = 3641.8(2) Å 3 , Z = 8, R gt ( F ) = 0.0482, wR ref ( F 2 ) = 0.1406, T = 296(2) K.
Open Access
Crystal structure of monoaqua-[6,6′-((1E,1′E)-(1,2-phenylene bis(azanylylidene))bis(methanylylidene))bis(4-bromo-2-nitrophenolato-κ⁴N,N′,O,O′)]zinc(II), C₂₀H₁₂Br₂N₄O₇Zn

May 13, 2017

Yong Hong, Shijuan Xu, Wei Liu

Page range: 571-572

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C 20 H 12 Br 2 N 4 O 7 Zn, orthorhombic, Pbca (no. 61), a = 22.593(7) Å, b = 7.220(2) Å, c = 26.225(8) Å, V = 4278(2) Å 3 , Z = 8, R gt ( F ) = 0.0757, wR ref ( F 2 ) = 0.1666, T = 298 K.
Open Access
Crystal structure of 11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one – acetonitril (1/2), C₃₃H₄₁N₃O₂

May 10, 2017

Juan Xu, Peng Li, Hui P. Wang, Li F. Ning

Page range: 573-575

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C 33 H 41 N 3 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.44861(4) Å, b = 17.00722(9) Å, c = 20.1555(1) Å, V = 2896.09(3) Å 3 , Z = 4, R gt ( F ) = 0.0347, wR ref ( F 2 ) = 0.0934, T = 150(2) K.
Open Access
Crystal structure of tert-butyl (phenylsulfinyl)carbamate, C₁₁H₁₅NO₃S

May 10, 2017

Parameshwar Makam, Marivel Samipillai, Hendrick G. Kruger, Thavendran Govender, Tricia Naicker

Page range: 577-578

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C 11 H 15 NO 3 S, orthorhombic, Pna 2 1 (no. 33), a = 9.5337(10) Å, b = 10.7168(11) Å, c = 11.5675(11) Å, V = 1181.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0252, wR ref ( F 2 ) = 0.0689, T = 173 K.
Open Access
Crystal structure of catena-poly{diaqua-bis(3-(1H-1,2,4-triazol-1-yl)benzoato-κ²O:N)copper(II)} monohydrate, C₁₈H₁₈CuN₆O₇

May 4, 2017

Jian-Ge Wang

Page range: 579-580

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C 18 H 18 CuN 6 O 7 , monoclinic, P 2 1 /n (no. 14), a = 12.3765(7) Å, b = 12.7299(8) Å, c = 12.5812(7) Å, β = 91.024(6)°, V = 1981.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0400, wR ref ( F 2 ) = 0.1081, T = 293(2)K.
Open Access
Crystal structure of tetraaqua-bis(3-(4H-1,2,4-triazol-4-yl)benzoato-κN)cobalt(II), C₁₈H₂₀CoN₆O₈

May 24, 2017

Jian-Ge Wang

Page range: 581-583

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C 18 H 20 CoN 6 O 8 , monoclinic, P 2 1 / c (no. 14), a = 22.012(2) Å, b = 6.8972(12) Å, c = 13.234(2) Å, β = 91.137(11)°, V = 2008.9(5) Å 3 , Z = 4, R gt ( F ) = 0.0436, wR ref ( F 2 ) = 0.1078, T = 293(2) K.
Open Access
The crystal structure of 4-bromo-N-cyclopropyl-2,5-difluorobenzenesulfonamide, C₉H₈BrF₂NO₂S

May 10, 2017

Li Liu, Ming-Yuan Wu, Chao Huang, Ming-Gang Teng, Jian-Xin Cao

Page range: 585-586

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C 9 H 8 BrF 2 NO 2 S, triclinic, P 1̅ (no. 2), a = 7.5277(6) Å, b = 8.3730(7) Å, c = 9.8785(9) Å, α = 92.637(3)°, β = 111.201°, γ = 105.856(2)°, V = 551.08(8) Å 3 , Z = 2, R gt ( F ) = 0.0330, wR ref ( F 2 ) = 0.0787, T = 273 K.
Open Access
Crystal structure of ([3,3′-bipyridine]-6,6′-dicarboxylato-κ²O:O′)-bis(1,2-bis(4-pyridyl)ethane-κ²N:N′)disilver(I) dihydrate, C₃₇H₃₅Ag₂N₅O₆

May 20, 2017

Hui-Tao Fan, Zhi-Guo Zhong, Yu-Han Yang, Ling Zhao

Page range: 587-589

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C 37 H 35 Ag 2 N 5 O 6 , monoclinic, C 2/ c (no. 15), a = 25.806(2) Å, b = 9.3041(3) Å, c = 18.0702(17) Å, β = 130.346(15)°, V = 3306.7(4) Å 3 , Z = 4, R gt ( F ) = 0.0426, wR ref ( F 2 ) = 0.0983, T = 296(2) K.
Open Access
The crystal structure of (4-(1H-1,2,4-triazol-1-yl)benzoato-κN)-[4-(1H-1,2,4-triazol-1-yl)benzoic acid-κN]silver(I), C₁₈H₁₃AgN₆O₄

May 10, 2017

Chuan-Bo Sun, Ai-Yun Fu, Jun-Cheng Jin, Yue-Hua Zhang

Page range: 591-592

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C 18 H 13 AgN 6 O 4 , monoclinic, C 2/ c (no. 15), a = 12.9022(12) Å, b = 8.9088(8) Å, c = 15.3383(14) Å, β = 106.810(3)°, V = 1687.7(3) Å 3 , Z = 4, R gt ( F ) = 0.0247, wR ref ( F 2 ) = 0.0600, T = 296(2) K.
Open Access
Crystal structure of 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C₁₇H₁₆O₂

May 4, 2017

Yavuz Köysal, Hakan Bülbül, Funda Özdemir, İlhan Özer İlhan, Necmi Dege

Page range: 593-594

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C 17 H 16 O 2 , monoclinic, P 2 1 / c (no. 14), a = 11.6963(12) Å, b = 11.1187(8) Å, c = 11.6902(10) Å, β = 115.545(7)°, V = 1371.7(2) Å 3 , Z = 4, R gt ( F ) = 0.0350, wR ref ( F 2 ) = 0.0865, T = 293 K.
Open Access
Crystal structure of bis(2-((E)-((4-((E)-1-(ethoxyimino)ethyl)phenyl)imino)methyl)-5-methoxyphenolato-κ²O,N)copper(II), C₃₆H₃₈CuN₄O₆

June 5, 2017

Li Zhao, Qin-Qin An, Ji-Xing Zhao, Peng-Peng Li, Fei Wang

Page range: 595-597

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C 36 H 38 CuN 4 O 6 , monoclinic, P 2 1 / c (no. 14), a = 10.7510(12) Å, b = 6.4718(7) Å, c = 24.254(2) Å, β = 101.99(1)°, V = 1650.7(3) Å 3 , Z = 2, R gt ( F ) = 0.0525, wR ref ( F 2 ) = 0.1621, T = 293(2) K.
Open Access
Crystal structure of poly[1,2-bis(1,2,4-triazol-4-yl)ethane-κ²N:N′]silver(I) bromate monohydrate]silver(I), C₆H₁₀AgBrN₆O₄

May 26, 2017

Yanfeng Cui, Xiangfei Zhang, Yaping Dong, Wu Li

Page range: 599-601

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C 6 H 10 AgBrN 6 O 4 , monoclinic, P 2 1 / c (no. 14), a = 11.424(7) Å, b = 16.140(9) Å, c = 6.506(4) Å, β = 97.897(4)°, V =1188.73(12) Å 3 , Z = 4, R gt ( F ) = 0.0473, wR ref ( F 2 ) = 0.1177, T = 273(2) K.
Open Access
The crystal structure of 2,3,5-triphenyl-2,3-dihydro-1H-tetrazol-1-ium 2,3-dioxoindoline-5-sulfonate, C₂₇H₁₉N₅O₅S

June 20, 2017

Hazem A. Ghabbour, Obaid S. AlRuqi, Gamal A. E. Mostafa

Page range: 603-605

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C 27 H 19 N 5 O 5 S, monoclinic, P 2 1 / c (no. 14), a = 14.2789(4) Å, b = 27.3722(9) Å, c = 13.0126(4) Å, β = 101.805(2)°, V = 4978.3(3) Å 3 , Z = 8, R gt ( F ) = 0.0809, wR ref ( F 2 ) = 0.1705.
Open Access
Crystal structure of 3-(2-amino-1,3-selenazol-4-yl)-2H-chromen-2-one – dimethylformamide (1/1), C₁₅H₁₅N₃O₃Se

May 4, 2017

Nurul Zawani Alias, Wan Yaacob Wan Ahmad, Nurul Izzaty Hassan, Bohari M. Yamin, Mohammad Fadzlee Ngatiman

Page range: 607-609

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C 15 H 15 N 3 O 3 Se, triclinic, P 1̅ (no. 2), a = 9.5686(7) Å, b = 12.3795(9) Å, c = 14.7854(11) Å, α = 93.844(2)°, β = 106.344(2)°, γ = 110.816(2)°, V = 1543.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0489, wR ref ( F 2 ) = 0.1066, T = 300 K.
Open Access
Crystal structure of diethyl 3,3′-(diazene-1,2-diyl)(E)-dibenzoate, C₁₈H₁₈N₂O₄

May 10, 2017

Niu Yongsheng, Yu Youzhu, Wei Aimin, Liu Nana, Wang Fengli

Page range: 611-612

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C 18 H 18 N 2 O 4 , monoclinic, P 2 1 / n (no. 14), a = 5.2291(2) Å, b = 10.5932(4) Å, c = 15.3775(6) Å, β = 96.619(2)°, V = 846.13(6) Å 3 , Z = 4, R gt ( F ) = 0.0479, wR ref ( F 2 ) = 0.1438, T = 293(2) K.
Open Access
Crystal structure of cis-bis((1H-benzimidazol-2-yl)methanol-κN,O)-bis(isothiocyanato-κN)nickel(II), C₁₈H₁₆N₆NiO₂S₂

May 18, 2017

Zhang Yun, Yu Youzhu, Shi Weiyun, Wei Aimin, Wang Fengli

Page range: 613-614

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C 18 H 16 N 6 NiO 2 S 2 , monoclinic, C 2/ c (no. 15), a = 14.935(3) Å, b = 8.5054(17) Å, c = 16.268(3) Å, β = 109.45(3)°, V = 1948.5(8) Å 3 , Z = 4, R gt ( F ) = 0.0243, wR ref ( F 2 ) = 0.0669, T = 293(2) K.
Open Access
Crystal structure of bis(2-(2′-hydroxy-5′-methoxyphenyl)-1H-benzimidazole)boron – tetrahydrofuran (1/1), C₃₆H₃₇N₄O₆B

May 18, 2017

Guo-jie Yin, Bin Zhang

Page range: 615-617

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C 36 H 37 N 4 O 6 B, monoclinic, C 2/ c , a = 9.3404(4) Å, b = 19.8395(10) Å, c = 17.8985(9) Å, β = 103.301(5)°, V = 3226.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0626, wR ref ( F 2 ) = 0.2086, T = 293 K.
Open Access
Crystal structure of poly[aqua-bis(nitrato-κ²O,O′)-(μ₃-1,3-benzimidazol-3-ium-1,3-diacetato-κ⁴O,O′:O′′:O′′′)dysprosium(III)], C₁₁H₁₁DyN₄O₁₁

May 13, 2017

Qian Zhang, Yue Li, Qiong-Yan Yu

Page range: 619-621

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C 11 H 11 DyN 4 O 11 , monoclinic, P 2 1 / c (no. 14), a = 12.073(4) Å, b = 14.704(4) Å, c = 8.763(3) Å, β = 94.233(5)°, V = 1551.3(8) Å 3 , Z = 4, R gt ( F ) = 0.0201, wR ref ( F 2 ) = 0.0555, T = 293 K.
Open Access
Crystal structure of n-butyl-tris(dicyclo-hexylamido)hafnium(IV), C₄₀H₇₅HfN₃

May 4, 2017

Christian Adler, Marc Schmidtmann, Rüdiger Beckhaus

Page range: 623-625

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C 40 H 75 HfN 3 , monoclinic, P 2 1 / n (no. 14), a = 10.7446(3) Å, b = 13.6547(4) Å, c = 26.5464(9) Å, β = 92.2375(15)°, V = 3891.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0195, wR ref ( F 2 ) = 0.0461, T = 100(2) K.
Open Access
Crystal structure of (E)-1-[1-(3-chloro-4-fluoro-phenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine, C₂₈H₂₀Cl₂F₂N₈O₈

May 4, 2017

Gang Liu, Yao-Dong Hu, Yi-Han Wang

Page range: 627-629

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C 28 H 20 Cl 2 F 2 N 8 O 8 , triclinic, P 1̅ (no. 2), a = 9.045(3) Å, b = 10.907(4) Å, c = 15.351(5) Å, α = 93.416(7)°, β = 95.771(7)°, γ = 95.915(6)°, V = 1495.0(9) Å 3 , Z = 4, R gt ( F ) = 0.0655, wR ref ( F 2 ) = 0.1940, T = 293 K.
Open Access
The crystal structure of ethyl 4-((2-hydroxybenzyl)amino)benzoate, a Schiff base, C₁₆H₁₇NO₃

May 8, 2017

Mahmoud Salman, Abdel Aziz Abu-Yamin, Ibrahim Sarairah, Alhawarin Ibrahim, Murad A. AlDamen

Page range: 631-632

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C 16 H 17 NO 3 , triclinic, P 1̅ (no. 2), a = 7.5445(7) Å, b = 8.3326(9) Å, c = 12.4291(10) Å, α = 94.468(8)°, β = 91.063(7)°, γ = 116.644(10)°, V = 695.01(13) Å 3 , Z = 2, R gt ( F ) = 0.0461, wR ref ( F 2 ) = 0.1240, T = 291 K.
Open Access
Crystal structure of 3-(2-(4-isobutylphenyl)propanoyl)-1-methylimidazolidine-2,4-dione, C₁₇H₂₂N₂O₃

May 8, 2017

Shi-Han Wang, Xiang-Qun Jin, Yan-Wei Wang, Yong-Sheng Wang

Page range: 633-635

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C 17 H 22 N 2 O 3 , monoclinic, P 2 1 / c , (no. 14) a = 18.419(4) Å, b = 5.7524(12) Å, c = 17.575(4) Å, β = 117.267(3)°, V =1655.2(6) Å 3 , Z = 4, R gt ( F ) = 0.0724, wR ref ( F 2 ) = 0.1899, T = 187(2) K.
Open Access
Crystal structure of poly[(μ₃-2-(pyrazin-2-ylthio)acetato-κ³N:O:S)silver(I)], C₆H₅AgN₂O₂S

May 26, 2017

Hui-Tao Fan, Shu-Guang Qi, Shan-Shan Liu, Ling Zhao

Page range: 637-638

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C 6 H 5 AgN 2 O 2 S, monoclinic, P 2 1 / c (no. 14), a = 10.0546(4) Å, b = 10.7329(5) Å, c = 6.9044(7) Å, β = 99.255(6)°, V = 735.39(9) Å 3 , Z = 4, R gt ( F ) = 0.0422, wR ref ( F 2 ) = 0.0967, T = 293(2) K.
Open Access
Crystal structure of (E)-1-(3-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)phenyl)ethanone O-benzyl oxime, C₂₆H₂₂N₂O₂

May 20, 2017

Yan-Bin Wang, Qiong Su

Page range: 639-641

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C 26 H 22 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 21.8152(18) Å, b = 4.3629(2) Å, γ = 22.0099(12) Å, β = 106.951(6)°, V = 2003.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0639, wR ref ( F 2 ) = 0.1555, T = 298(2) K.
Open Access
Crystal structure of (E)-2,3-dihydroxybenzaldehyde O-(2-((((E)-1-(2,5-dihydroxyphenyl)ethylidene)amino)oxy)ethyl) oxime monohydrate, C₁₇H₂₀N₂O₇

June 24, 2017

Shan-Shan Zheng, Qing Zhao, Yang Zhang, Wen-Kui Dong

Page range: 643-645

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C 17 H 20 N 2 O 7 , monoclinic, P 2 1 / c (no. 14), a = 4.6318(11) Å, b = 13.472(3) Å, c = 27.120(7) Å, β = 91.081(5)°, V = 1692.1(7) Å 3 , Z = 4, R gt ( F ) = 0.0637, wR ref ( F 2 ) = 0.1297, T = 298(2) K.
Open Access
Crystal structure of 4-(chloromethyl)-3-nitrobenzoic acid, C₈H₆ClNO₄

May 26, 2017

Deng Linxin, Liu Hui, Li Song

Page range: 647-648

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C 8 H 6 ClNO 4 , monoclinic, P 2 1 / c (no. 14), a = 7.5316(7) Å, b = 17.0508(15) Å, c = 14.1080(13) Å, β = 100.605(1)°, V = 1780.8(3) Å 3 , Z = 8, R gt ( F ) = 0.0562, wR ref ( F 2 ) = 0.1692, T = 298 K.
Open Access
Crystal stucture of 4-((10H-phenothiazin-10-yl)methyl)-2,6-di-tert-butylphenol, C₂₇H₃₁NOS

May 18, 2017

Limin Wang, Shasha Yu, Shenggao Liu

Page range: 649-650

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C 27 H 31 NOS, triclinic, P 1̅ (no. 2), a = 9.2279(8) Å, b = 10.2275(9) Å, c = 13.0749(12) Å, α = 73.910(2)°, β = 79.621(2)°, γ = 72.216(2)°, V = 1122.82(17) Å 3 , Z = 2, R gt ( F ) = 0.0393, wR ref ( F 2 ) = 0.1072, T = 130 K.
Open Access
The crystal structure of ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C₁₃H₁₀F₃N₃O₄

May 8, 2017

Željko K. Jaćimović, Milica Kosović, Goran A. Bogdanović, Sladjana B. Novaković, Gerald Giester, Miljan Bigović

Page range: 651-653

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C 13 H 10 F 3 N 3 O 4 , triclinic, P 1̅ (no. 2), a = 7.0524(14) Å, b = 7.8044(16) Å, c = 12.954(3) Å, α = 97.93(3)°, β = 96.29(3)°, γ = 100.11(3)°, V = 688.6(3) Å 3 , Z = 2, R gt ( F ) = 0.0478, wR ref ( F 2 ) = 0.1140, T = 200 K.
Open Access
Crystal structure of catena-poly[di-(μ₃-oxido-κ³O:O:O)-tetraoxido-(μ₂-5′-(pyrazin-2-yl)-1H,2′H-3,3′-bi(1,2,4-triazole)-κ²N:N′)dimolybdenum(VI)], C₈H₆Mo₂N₈O₆

May 4, 2017

Lei Zhang, Cong-Kui Nie, Dan Zhao

Page range: 655-656

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C 8 H 6 Mo 2 N 8 O 6 , triclinic, P 1̅ (no. 2), a = 7.3053(7) Å, b = 8.7683(9) Å, c = 11.6150(12) Å, α = 87.578(2)°, β = 74.490(2)°, γ = 71.912(2)°, V = 680.80(12) Å 3 , Z = 2, R gt ( F ) = 0.454, wR ref ( F 2 ) = 0.1100, T = 296 K.
Open Access
Crystal structure of (3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ⁴O,O′:O′′,O′′′)-bis(tris(2-pyridylmethyl)amine-κ⁴N,N′,N′′,N′′′))-dizinc(II) bis(hexafluorophosphate(V)), C₄₂H₃₈F₁₂N₈O₄P₂Zn₂

May 26, 2017

Li Nan, Zhang Li-Fang, Zhao Yun

Page range: 657-659

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C 42 H 38 F 12 N 8 O 4 P 2 Zn 2 , monoclinic, P 2 1 / c (no. 14), a = 11.470(2) Å, b = 16.221(3) Å, c = 11.548(2) Å, β = 91.03(3)°, V = 2148.3(7) Å 3 , Z = 2, R gt ( F ) = 0.0365, wR ref ( F 2 ) = 0.0905, T = 123(2) K.
Open Access
Crystal structure of catena-poly[hexakis(μ₂-2-acetylphenolato-κ³O:O,O′)trimanganese(II)], C₄₈H₄₂Mn₃O₁₂

May 26, 2017

Qian-jun Deng, Dong-chu Chen

Page range: 661-663

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C 48 H 42 Mn 3 O 12 , triclinic, P 1̅ (no. 2), a = 9.1889(6) Å, b = 9.3226(9) Å, c = 12.8605(11) Å, α = 79.231(8)°, β = 73.223(7)°, γ = 89.228(7)°, V = 1035.26(15) Å 3 , Z = 1, R gt ( F ) = 0.0593, wR ref ( F 2 ) = 0.1664, T = 293 K.
Open Access
The crystal structure of 2,2-difluoro-4-(trifluoromethyl)-2,5-dihydro-[1,3,2]dioxaborinino[5,4-c]chromen-3-ium-2-uide, C₁₁H₆BF₅O₃

May 18, 2017

Guang Yu, JinYuan bai, YanJun Hou

Page range: 665-666

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C 11 H 6 BF 5 O 3 , orthorhombic, P 2 1 2 1 2 (no. 18), a = 13.236(4) Å, b = 18.566(5) Å, c = 4.7869(13) Å, V = 1176.3(6) Å 3 , Z = 4, R gt ( F ) = 0.0442, wR ref ( F 2 ) = 0.1307, T = 296 K.
Open Access
Crystal structure of methyl (E)-2-(4-(diethylamino)-2-hydroxybenzylidene)hydrazine-1-carboxylate, C₁₃H₁₉N₃O₃

May 18, 2017

Lu-Ping Lv, Wei-De Lv, Jun-Feng Rao, Jia-Yi Chen

Page range: 667-668

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C 13 H 19 N 3 O 3 , monoclinic, P 2 1 / c (no. 14), a = 11.594(5) Å, b = 11.311(5) Å, c = 11.688(5) Å, β = 117.347(19)°, V = 1361.4(10) Å 3 , Z = 4, R gt ( F ) = 0.0479, wR ref ( F 2 ) = 0.1630, T = 296 K.
Open Access
The crystal structure of tert-butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, C₁₀H₁₅N₃O₂

May 26, 2017

Kun-Yan Wang, Xiao-Li Yang

Page range: 669-670

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C 10 H 15 N 3 O 2 , monoclinic, P 2 1 / n (no. 14), a = 10.9501(14) Å, b = 9.2193(9) Å, c = 11.2149(14) Å, β = 103.648(4), V = 1100.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0476, wR ref ( F 2 ) = 0.1054, T = 296(2) K.
Open Access
Crystal structure of 1,1-bis(η⁵-adamantylcyclopentadienyl)-3-phenyl-2-trimethylsilyl-2,3-dihydroisotitanazole, C₄₂H₅₅NSiTi

May 13, 2017

Manfred Manßen, Marc Schmidtmann, Rüdiger Beckhaus

Page range: 671-673

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C 42 H 55 NSiTi, triclinic, P 1̅ (no. 2), a = 9.2556(4) Å, b = 12.5048(5) Å, c = 15.7350(7) Å, α = 69.6151(13)°, β = 85.3502(14)°, γ = 83.8861(14)°, V = 1695.51(13) Å 3 , Z = 2, R gt ( F ) = 0.0334, wR ref ( F 2 ) = 0.0885, T = 100(2) K.
Open Access
Crystal structure of 2-(4-(2-(4-benzylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione, C₂₈H₂₉N₃O₂

May 31, 2017

Yujuan Wang, Li Tao, Suzhen Cui, Zhu Liang, Maojian Shi, Jinhui Zhou

Page range: 675-676

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C 28 H 29 N 3 O 2 , triclinic, P 1̅ (no. 2), a = 6.7598(9) Å, b = 10.1294(13) Å, c = 18.386(3) Å, α = 78.536(7)°, β = 83.758(8)°, γ = 76.550(8)°, V = 1197.4(3) Å 3 , Z = 2, R gt ( F ) = 0.0492, wR ref ( F 2 ) = 0.1473, T = 293 K.
Open Access
Important impurity of Flupirtine – a single crystal study on ethyl (6-amino-5-((ethoxycarbonyl)amino)pyridin-2-yl)(4-fluorobenzyl)carbamate, C₁₈H₂₁FN₄O₄

May 31, 2017

Kun-Yan Wang, Xiao-Li Yang

Page range: 677-678

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C 18 H 21 FN 4 O 4 , monoclinic, P 2 1 / n (no. 14), a = 9.4973(8) Å, b = 12.8420(11) Å, c = 15.3050(15) Å, β = 103.468(4)°, V = 1815.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0525, wR ref ( F 2 ) = 0.1049, T = 296(2) K.
Open Access
Crystal structure of ethyl 3-(4-methoxyphenyl)-1-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-pyrazole-5-carboxylate, C₂₂H₂₂N₂O₅

May 20, 2017

Jinhui Zhou, Liangwen Zheng, Jing Liu, Yongen Guo, Lin Ding

Page range: 679-680

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C 22 H 22 N 2 O 5 , triclinic, P 1̅ (no. 2), a = 7.592(2) Å, b = 9.835(3) Å, c = 13.579(4) Å, α = 86.600(3)°, β = 83.755(3)°, γ = 89.549(3)°, V = 1006.1(5) Å 3 , Z = 2, R gt ( F 2 ) = 0.0495, wR ref ( F 2 ) = 0.1441, T = 273 K.
Open Access
Crystal structure of 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate methanol solvate, C₃₇H₃₅N₁O₁₀

May 26, 2017

Yanjie Zhang, Benyong Lou, Yali Huang, Guocai Zheng, Qi Lin

Page range: 681-683

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C 37 H 35 N 1 O 10 , triclinic, P 1̅ (no. 2), a = 12.039(8) Å, b = 12.353(9) Å, c = 12.938(9) Å, α = 102.786(3)°, β = 111.865(6)°, γ = 105.173(7)°, V = 1610.6(19) Å 3 , Z = 2, R gt ( F ) = 0.0567, wR ref ( F 2 ) = 0.1392, T = 293 K.
Open Access
The crystal structure of the inner salt of 2-[(aminoiminomethyl)amino]ethylcarbamic acid [systematic name: (2-((diaminomethylene)ammonio)ethyl)carbamate], C₄H₁₀N₄O₂

May 13, 2017

Irena Matulková, Hana Charvátová, Ivana Císařová, Petr Štěpnička

Page range: 685-687

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C 4 H 10 N 4 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.4922(3) Å, b = 7.4024(5) Å, c = 17.5083(10) Å, V = 711.81(7) Å 3 , Z = 4, R gt ( F ) = 0.0395, wR ref ( F 2 ) = 0.0923, T = 150(2) K.
Open Access
Crystal structure of (8-hydroxy-5-nitroquinolinium) perchlorate – 8-hydroxy-5-nitroquinoline (1/1), C₁₈H₁₃ClN₄O₁₀

May 10, 2017

Ganlin Zhao

Page range: 689-691

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C 18 H 13 ClN 4 O 10 , monoclinic, P 2 1 / c (no. 14), a = 21.009(9) Å, b = 9.474(4) Å, c = 9.747(4) Å, β = 98.360(9)°, V = 1919.4(14) Å 3 , Z = 4, R gt ( F ) = 0.0560, wR ref ( F 2 ) = 0.1752, T = 293 K.
Open Access
The crystal structure of (5-methyl-1,2,4-oxadiazol-3-yl)ferrocene, C₁₃H₁₂FeN₂O

May 31, 2017

Karel Škoch, Ivana Císařová, Petr Štěpnička

Page range: 693-695

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C 13 H 12 FeN 2 O, monoclinic, P 2 1 / n (no. 14), a = 5.9035(2) Å, b = 20.7111(6) Å, c = 9.1403(3) Å, β = 90.0762(16)°, V = 1117.57(6) Å 3 , Z = 4, R gt (F) = 0.0282, wR ref ( F 2 ) = 0.0656, T = 150(2) K.
Open Access
Crystal structure of methyl 1-(2-(fluorosulfonyl)ethyl)-2-oxocyclopentanecarboxylate, C₉H₁₃FO₅S

May 31, 2017

Kimberleigh B. Govender, Marivel Samipillai, Thavendran Govender, Hendrik G. Kruger, Tricia Naicker

Page range: 697-698

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C 9 H 13 FO 5 S, triclinic, P 1̅ (no. 2), a = 5.9390(3) Å, b = 8.1581(4) Å, c = 11.3823(8) Å, α = 89.498(3)°, β = 85.314(5)°, γ = 84.916(5)°, V = 547.48(5) Å 3 , Z = 2, R gt ( F ) = 0.0303, wR ref (F 2 ) = 0.0811, T = 293 K.
Open Access
Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C₄H₅N₃O₂

May 26, 2017

Wang Jianlong, Lian Pengbao, Chen Lizhen

Page range: 699-700

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C 4 H 5 N 3 O 2 , triclinic, P 1 (no. 1), a = 3.8976(6) Å, b = 5.7235(8) Å, c = 6.2670(10) Å, α = 89.630(12)°, β = 84.800(13)°, γ = 76.970(13)°, V = 135.63(4) Å 3 , Z = 1, R gt ( F ) = 0.0519, wR ref ( F 2 ) = 0.1303, T = 104.8 K.
Corrigendum
Open Access
Crystal structure of 4-bromo-2-(1H-pyrazol-3-yl)phenol, C₉H₇BrN₂O

June 6, 2017

Jaćimović K. Željko, Kosović Milica, Novaković B. Sladjana, Bogdanović A. Goran, Gerald Giester, Kastratović Vlatko

Page range: 701-701

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