Zeitschrift für Kristallographie - New Crystal Structures

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Volume 237, Issue 2

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

March 9, 2022

Page range: i-vi

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New Crystal Structures
Open Access
Crystal structure of {2,2′-{cyclohexane-1,2-diylbis[(azanylylidene)methylylidene]}bis(2,4-dibromophenolato)-κ⁴ N,N′,O,O′}copper(II) ─ diethylformamide (1/1), C₂₃H₂₃Br₄CuN₃O₃

February 14, 2022

Weili Li, Yang Bo

Page range: 185-187

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C 23 H 23 Br 4 CuN 3 O 3 , P 1 ‾ $\overline{1}$ (no. 2), a = 10.4769(4) Å, b = 10.7829(5) Å, c = 12.9824(5) Å, α = 98.153(2)°, β = 111.484(2)°, γ = 105.035(2)°, V = 1271.43(9) Å 3 , Z = 2, R gt ( F ) = 0.0338, w R ref ( F 2 ) = 0.1158, T = 273.15 K.
Open Access
The crystal structure of 2-(2-methyl-6-phenyl-4H-pyran-4-ylidene)-1H-indene-1,3(2H)-dione, C₂₁H₁₄O₃

January 4, 2022

An-Na Sun, Xiao-Bo Huang, Deng-Ze Wu

Page range: 189-190

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C 21 H 14 O 3 , monoclinic, P 2 1 / c (no. 14), a = 4.8318(8) Å, b = 26.590(4) Å, c = 11.821(2) Å, β = 91.050(4)°, V = 1518.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0401, wR ref ( F ) = 0.1038, T = 296(2) K. CCDC no.: 2122345
Open Access
Crystal structure of bis((1-methylbenzimidazol-2-yl)methyl)amine, C₁₈H₁₉N₅

January 4, 2022

Meng Gaoxiang, Yongming Yang, Qiang Li, Zhou Li

Page range: 191-193

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C 18 H 19 N 5 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.612(4) Å, b = 8.800(5) Å, c = 13.777(8) Å, α = 83.219(7)°, β = 79.329(6)°, γ = 78.744(6)°, V = 769.8(8) Å 3 , Z = 2, R gt ( F ) = 0.0394, wR ref ( F 2 ) = 0.0996, T = 100(2) K.
Open Access
Crystal structure of (E)-N′-(1-(2-hydroxy-4-methoxyphenyl)ethylidene) isonicotinohydrazide, C₁₅H₁₅N₃O₃

January 10, 2022

Valeri V. Mossine, Steven P. Kelley, Thomas P. Mawhinney

Page range: 195-197

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C 15 H 15 N 3 O 3 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 9.0752(2) Å, b = 9.1969(2) Å, c = 9.9519(2) Å, α = 112.7059(8)°, β = 92.4309(8)°, γ = 115.2776(7)°, V = 671.16(3) Å 3 , Z = 2, R gt ( F ) = 0.0347, wR ref ( F 2 ) = 0.1113, T = 100 K.
Open Access
Crystal structure of 2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile, C₁₅H₁₁N₅S

January 4, 2022

Guo-Xiang Sun, Li-Jing Min, Liang Han, Xing-Hai Liu

Page range: 199-200

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C 15 H 11 N 5 S, orthorhombic, Pbca (no. 61), a = 9.7864(2) Å, b = 15.5709(3) Å, c = 18.7774(4) Å, V = 2861.36(10) Å 3 , Z = 8, R gt ( F ) = 0.0485, wR ref ( F 2 ) = 0.1390, T = 296.15 K.
Open Access
The crystal structure of 2,2′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene))bis(4-chlorophenol), C₁₄H₁₀Cl₂N₂O₂

January 5, 2022

Xu Fan, Ke-Xiang Liu, Hong-Yu Zhu, Zhong-Yan Li, Lin Yuan

Page range: 201-202

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C 14 H 10 Cl 2 N 2 O 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.165(12) Å, b = 7.192(13) Å, c = 7.829(15) Å, α = 74.97(2)°, β = 81.92(2)°, γ = 79.84(2)°, V = 328.3(11) Å 3 , Z = 1, R gt ( F ) = 0.0312, wR ref ( F 2 ) = 0.0859, T = 296(2) K.
Open Access
Dichlorido-{2,6-bis(4,5-dihydro-1H-pyrazol-3-yl)pyridine-κ³ N,N′,N″}zinc(II), C₁₁H₉C₁₂N₅Zn

January 4, 2022

Rabia Usman, Arshad Khan, Amjad Khan, Moamen S. Refat, Amani M. R. Alsaedi, Faiz-Ur Rahman

Page range: 203-204

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C 11 H 9 C 12 N 5 Zn, monoclinic, C 2/ c (no. 15), a = 10.256(3) Å, b = 17.110(5) Å, c = 7.967(3) Å, β = 104.361(4)°, V = 1354.36 Å 3 , Z = 4, R gt ( F ) = 0.0270, wR ref ( F 2 ) = 0.0659, T = 293 K.
Open Access
The crystal structure of dichlorido-(2-((4-phenyl-2H-1,2,3-triazol-2-yl)methyl)pyridine-κ²N,N′)palladium(II), C₁₄H₁₂Cl₂N₄Pd

January 28, 2022

Xiang Si, Qiong Yan

Page range: 205-206

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C 14 H 12 Cl 2 N 4 Pd, monoclinic, P 2 1 / c (no. 14), a = 11.990(3) Å, b = 13.027(3) Å, c = 9.730(2) Å, β = 92.163(4)°, V = 1518.7(6) Å 3 , Z = 4, R gt ( F ) = 0.0290, wR ref ( F 2 ) = 0.0856, T = 296(2) K. CCDC no.: 2118554
Open Access
The crystal structure of 1-(N1-benzyl-2-methyl-4-nitro-imidazol-5-yl)-4-(prop-2-yn-1-yl) piperazine, C₁₈H₂₁N₅O₂

January 20, 2022

Raed A. Al-Qawasmeh, Sadeekah O. W. Saber, Yaseen A. Al-Soud, Monther A. Khanfar

Page range: 207-209

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C 18 H 21 N 5 O 2 , monoclinic, P 2 1 / c (no. 4), a = 10.0914(6) Å, b = 11.8919(7) Å, c = 15.545(1) Å, β = 102.321(6)°, V = 1822.5(2) Å 3 , Z = 4, R gt ( F ) = 0.0503, wR ref ( F 2 ) = 0.1419, T = 293(2) K.
Open Access
Crystal structure of (μ₄-(1,2,4,5-tetra(1,2,4-triazol-1-ylmethyl)-benzene-κ⁴N:N¹:N²:N³)disilver(I) diperchlorate

January 14, 2022

Hua-Rui Wang

Page range: 211-213

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C 9 H 9 N 6 O 4 ClAg, monoclinic, C 2/ c (no. 15), a = 24.730(5) Å, b = 11.776(2) Å, c = 9.6860(19) Å, β = 109.09(3)°, V = 2665.6(9) Å 3 , Z = 8, R gt ( F ) = 0.0646, wR ref ( F 2 ) = 0.2177, T = 293(2) K.
Open Access
The crystal structure of 1-(2-bromoethane)-4-amine-3,5-dinitropyrazole, C₅H₆Br₁N₅O₄

January 14, 2022

Zhao Jiaxiang, Lian Pengbao, Chen Jun, Li Chong, Wang Jianlong

Page range: 215-216

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C 5 H 6 Br 1 N 5 O 4 , orthorhombic, Pbca (no. 61), a = 11.4370(4) Å, b = 6.9921(2) Å, c = 22.8443(9) Å, β = 90°, V = 1826.83(11) Å 3 , Z = 8, R gt ( F ) = 0.0357, wR ref ( F 2 ) = 0.1062, T = 100 K.
Open Access
Crystal structure of (E)-1-(4-benzyl-3,5-dioxomorpholin-2-ylidene)ethyl acetate, C₁₅H₁₅N₁O₅

January 19, 2022

Yin-Xin Wang, Kun Qin, Rui Wang, Wen-Li Zhang, Qi-Di Zhong

Page range: 217-218

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C 15 H 15 N 1 O 5 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.075(4) Å, b = 11.147(8) Å, c = 13.319(9) Å, α = 106.064(10)°, β = 96.091(11)°, γ = 98.189(10)°, V = 708.2(9) Å 3 , Z = 2, R gt ( F ) = 0.0444, wR ref ( F 2 ) = 0.1581, T = 296 K.
Open Access
The crystal structure of poly[diaqua-(μ₂-1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ2N:N′)-bis(μ₃-terephthalato-κ³O:O′:O′′)dicadmium(II)], C₁₇H₁₅N₆O₅Cd

January 14, 2022

Hua-Rui Wang

Page range: 219-221

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C 17 H 15 N 6 O 5 Cd, monoclinic, P 2 1 / c (no. 14), a = 10.095(2) Å, b = 13.380(3) Å, c = 14.968(5) Å, β = 115.16(2)°, V = 1829.9(9) Å 3 , Z = 4, R gt ( F ) = 0.0267, wR ref ( F 2 ) = 0.0602, T = 293(2) K.
Open Access
Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)thiophene-2-carbohydrazide, C₁₃H₁₁ClN₂O₂S

January 26, 2022

Cui-Cui Li, Li Zhang

Page range: 223-224

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C 13 H 11 ClN 2 O 2 S, orthorhombic, Pna 2 1 / n (no. 33), a = 33.781(4) Å, b = 5.2087(6) Å, c = 7.2979(8) Å, β = 90°, V = 1284.1(3) Å 3 , Z = 4, R gt ( F ) = 0.0429, wR ref ( F 2 ) = 0.1267, T = 296 K.
Open Access
The crystal structure of [(2,2′-bipyridine-k² N,N)-bis(6-phenylpyridine-2-carboxylato-k² N,O)cobalt(II)]-monohydrate, C₃₆H₂₆N₄O₅Co

February 3, 2022

Xi-Shi Tai, Yu-Pei Xia

Page range: 225-227

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C 36 H 26 N 4 O 5 Co, monoclinic, C 2/ c (no. 15), a = 29.3826(17) Å, b = 10.3153(5) Å, c = 19.9407(12) Å, β = 107.263(6), V = 5771.6(6) Å 3 , Z = 8, R gt ( F ) = 0.0341, w R ref ( F 2 ) = 0.0777, T = 200 K.
Open Access
Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-3-hydroxybenzo-hydrazide monohydrate, C₁₄H₁₃ClN₂O₄

January 28, 2022

Xue-Li Xu, Jin Li

Page range: 229-230

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C 14 H 13 ClN 2 O 4 , monoclinic, P 2 1 / n (no. 14), a = 9.7353(13) Å, b = 13.7790(18) Å, c = 10.5227(13) Å, β = 97.961(2)°, V = 1397.9(3) Å 3 , Z = 4, R gt ( F ) = 0.0367, w R ref ( F 2 ) = 0.1181, T = 296(2) K.
Open Access
Crystal structure of 1,1′-(methylene)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ²S:S)nickel(II), C₄₂H₃₀N₁₄Ni₂S₈

February 2, 2022

Xue-Guo Liu, Wan-Yao Chen, Hui-Yan Pan

Page range: 231-233

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C 42 H 30 N 14 Ni 2 S 8 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.5083(17) Å, b = 10.744(2) Å, c = 12.188(2) Å, α = 80.109(4)°, β = 84.876(4)°, γ = 88.758(3)°, V = 1221.7(4) Å 3 , Z = 1, R gt ( F ) = 0.0268, wR ref ( F 2 ) = 0.0701, T = 296.15 K.
Open Access
Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ² S:S)nickel(II), C₂₀H₁₄N₆NiS₄

January 31, 2022

Wei-Hong Yan, Wan-Yao Chen

Page range: 235-236

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C 20 H 14 N 6 NiS 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.519(3) Å, b = 8.5956(16) Å, c = 8.6531(17) Å, α = 116.404(3)°, β = 94.574(4)°, γ = 103.031(4)°, V = 541.0(2) Å 3 , Z = 1, R gt ( F ) = 0.0445, wR ref ( F 2 ) = 0.1147, T = 296.15 K.
Open Access
The crystal structure of 1-methyl-1H-pyrazol-2-ium nitrate, C₄H₇O₃N₃

January 28, 2022

Chen Cong, Xiao Yun, Li Chong, Chen LiZhen, Wang Jianlong

Page range: 237-238

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C 4 H 7 O 3 N 3 , orthorhombic, Pnma (no. 62), a = 14.2289(10) Å, b = 6.1881(4) Å, c = 7.5592(5) Å, V = 665.59(8) Å 3 , Z = 4, R gt ( F ) = 0.0427, w R ref ( F 2 ) = 0.1098, T = 150 K.
Open Access
The crystal structure of 4,4′-diselanediylbis(8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile), C₄₆H₆₀N₆O₂Se₂

January 31, 2022

Xin-Yue Xu, Xiao-Bo Huang, Deng-Ze Wu

Page range: 239-242

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C 46 H 60 N 6 O 2 Se 2 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 10.4701(7) Å, b = 10.6331(7) Å, c = 20.4665(14) Å, α = 92.079(2)°, β = 97.937(2)°, γ = 95.848(2)°, V = 2242.0(3) Å 3 , Z = 2, R gt ( F ) = 0.0487, wR ref ( F 2 ) = 0.1183, T = 293(2) K.
Open Access
The crystal structure of tris(6-methylpyridin-2-yl)phosphine selenide, C₁₈H₁₈N₃PSe

January 31, 2022

Gui-Ling Wu

Page range: 243-245

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C 18 H 18 N 3 PSe, monoclinic, P 2 1 / n (no. 14), a = 9.3064 (9) Å, b = 17.7311 (18) Å, c = 11.0556(11) Å, β = 105.317(1)°, V = 1759.5 Å 3 , Z = 4, R gt ( F ) = 0.0365, w R ref ( F 2 ) = 0.0919, T = 296(2) K.
Open Access
The crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane ─ acetone (1/1), C₁₁H₁₂N₈O₉

January 28, 2022

Yong Wang, Bingheng Wu, Jun Yuan, Duanlin Cao, Jianlong Wang, Lizhen Chen

Page range: 247-248

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C 11 H 12 N 8 O 9 , monoclinic, P 2 1 / c (no. 14), a = 9.2565(11) Å, b = 16.629(2) Å, c = 11.2944(13) Å, β = 108.945(4)°, V = 1644.3(4) Å 3 , Z = 4, R gt ( F ) = 0.0528, wR ref ( F 2 ) = 0.1427, T = 170.0 K.
Open Access
Crystal structure of [diaqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ⁴N,N′,O,O′]nickel(II)] tetrahydrate, C₁₆H₁₂N₄NiO₁₀·4H₂O

January 31, 2022

Xu Liu, Xiang-Ru Meng

Page range: 249-251

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C 16 H 20 N 4 NiO 14 , orthorhombic, Pnma (No. 62), a = 7.1945(2) Å, b = 16.1805(4) Å, c = 17.7912(5) Å, V = 2071.08(10) Å 3 , Z = 4, R gt ( F ) = 0.0353, wR ref ( F 2 ) = 0.0997, T = 293(2) K.
Open Access
The crystal structure of tris(4-methyl-1H-pyrazol-1-yl)methane, C₁₃H₁₆N₆

January 31, 2022

Gui-Ling Wu

Page range: 253-254

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C 13 H 16 N 6 , orthorhombic, Pbca (No. 61), a = 16.097(2) Å, b = 9.8309(13) Å, c = 17.349(2) Å, β = 90°, V = 2745.4(6) Å 3 , Z = 8, R gt ( F ) = 0.0434, w R ref ( F 2 ) = 0.1302, T = 296(2) K.
Open Access
The crystal structure of 5,6-dichloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C₁₇H₈Cl₂N₂O₂

February 15, 2022

Jie Chen, Hengmei Zhu, Zhigang Cai, Jing Hu, Lili Shen, Yali Zhang, Xiaoping Xu

Page range: 255-256

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C 17 H 8 Cl 2 N 2 O 2 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.9032(2) Å, b = 9.0843(3) Å, c = 10.8051(2) Å, α = 85.2310(10)°, β = 85.0270(10)°, γ = 71.013(2)°, V = 729.54(3) Å 3 , Z = 2, R gt ( F ) = 0.0417, wR ref ( F 2 ) = 0.1051, T = 293(2) K.
Open Access
Crystal structure of (E)-(2-methoxy-benzylidene)-(4-[1,2,4]triazol-1-yl-phenyl)-amine, C₁₆H₁₄N₄O

January 31, 2022

Jie Liu, Qirui Liang, Jie Li, Lufei Xiao

Page range: 257-259

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C 16 H 14 N 4 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.721(5) Å, b = 12.116(5) Å, c = 13.413(5) Å, α = 88.870(5)°, β = 86.304(5)°, γ = 80.568(5)°, V = 1395.1(11) Å 3 , Z = 4, R gt ( F ) = 0.0543, wR ref ( F 2 ) = 0.1645, T = 298(2) K.
Open Access
The crystal structure of (Z)-2-(4-(4-bromophenyl)thiazol-2-yl)-4-(3-hydroxybut-2-enoyl)-5-methyl -1,2-dihydro-3H-pyrazol-3-one – methanol (1/1), C₁₈H₁₈N₃O₄S

January 31, 2022

Yunqian Feng, Jianghai Ye, Peng Wang, Shuqiong Tai, Tianqiong Lang

Page range: 261-263

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C 18 H 18 N 3 O 4 S, monoclinic, Cc (no. 9), a = 10.8839(14) Å, b = 14.2825(18) Å, c = 13.0717(16) Å, β = 108.618(3)°, V = 1925.6(4) Å 3 , Z = 4, R gt ( F ) = 0.0359, w R ref ( F 2 ) = 0.0812, Flack parameter = 0.009(6), T = 298(2) K.
Open Access
Crystal structure of tetraaqua-tris(nitrato-κ² O,O′) erbium(III) monohydrate, Er(NO₃)₃·5H₂O, H₁₀ErN₃O₁₄

January 31, 2022

Wilhelm Klein

Page range: 265-266

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H 10 ErN 3 O 14 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.5913(4) Å, b = 9.5211(5) Å, c = 10.4936(6) Å, α = 63.742(4)°, β = 84.551(5)°, γ = 76.038(5)°, V = 573.09(6) Å 3 , Z = 2, R gt ( F ) = 0.0141, wR ref ( F 2 ) = 0.0318, T = 223 K.
Open Access
The crystal structure of 1-methyl-2-nitro-1H-imidazole 3-oxide, C₄H₅N₃O₃

February 2, 2022

Jun Yuan, Bingheng Wu, Yong Wang, Jianlong Wang, Duanlin Cao, Lizhen Chen

Page range: 267-268

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C 4 H 5 N 3 O 3 , monoclinic, P 2 1 / n (no. 14), a = 8.4556(2) Å, b = 7.0609(3) Å, c = 9.5928(4) Å, β = 90.12(2)°, V = 572.73(4) Å 3 , Z = 4, R gt ( F ) = 0.0339, wR ref ( F 2 ) = 0.0914, T = 140.0 K.
Open Access
The crystal structure of 1-methyl-2-nitroimidazole, C₄H₅N₃O₂

February 8, 2022

Yanan Qiao, Jun Yuan, Changyuan Wan, Yuexia Li, Yong Wang

Page range: 269-270

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C 4 H 5 N 3 O 2 , monoclinic, P 2 1 / c (no. 14), a = 4.0668(13) Å, b = 11.198(4) Å, c = 6.137(2) Å, β = 97.033(11)°, V = 277.40(16) Å 3 , Z = 2, R gt ( F ) = 0.0444, wR ref ( F 2 ) = 0.1048, T = 170.00 K.
Open Access
The crystal structure of 2-carboxyl-4-nitroimidazole monohydrate, C₄H₅N₃O₅

February 2, 2022

Changyuan Wan, Jun Yuan, Yong Wang, Yanan Qiao

Page range: 271-272

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C 4 H 5 N 3 O 5 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.3017(7) Å, b = 6.9235(7) Å, c = 8.2333(8) Å, α =100.604(3)°, β = 90.862(4)°, γ = 108.102(4)°, V = 334.60(6) Å 3 , Z = 2, R gt ( F ) = 0.0616, wR ref ( F 2 ) = 0.1414, T = 170.0 K.
Open Access
Crystal structure of bis[hydrido-hexaphenylcarbodiphosphoran][tetra-trifluoromethyl-(μ-diiodo)-diplatinat]

February 3, 2022

Wolfgang Petz, Bernhard Neumüller

Page range: 273-275

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C 86 H 78 F 12 I 2 O 2 P 4 Pt 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 11.520(1) Å, b = 12.196(1) Å, c = 15.382(2) Å, α = 73.20(1)°, β = 75.18(1)°, γ = 86.81(1)°, V = 2000.1(4) Å 3 , Z = 1, R gt ( F ) = 0.0631, wR ref ( F 2 ) = 0.1759, T = 193(2) K.
Open Access
The crystal structure of poly[μ₂-aqua- aqua-(μ₃-(E)-2-(4-((2-carbamothioylhydrazineylidene)methyl)phenoxy)acetato-κ³ O:S:S)sodium(I)], C₁₀H₁₄N₃O₅SNa

February 15, 2022

Xi-Shi Tai, Li-Hua Wang, Yu-Pei Xia

Page range: 277-279

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C 10 H 14 N 3 O 5 SNa, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.7015(5) Å, b = 7.5656(5) Å, c = 14.1332(8) Å, β = 93.159(5)°, V = 654.71(8) Å 3 , Z = 2, R gt ( F ) = 0.0357, wR ref ( F 2 ) = 0.0872, T = 273 K.
Open Access
The twinned crystal structure of [4,4′-bipyridine]-1,1′-diium hexachloridostannate(IV), C₁₀H₁₀N₂SnCl₆

February 4, 2022

Guido J. Reiss, Martin van Megen

Page range: 281-284

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C 10 H 10 N 2 SnCl 6 , monoclinic, I 2/ a (no. 15), a = 7.4941(3) Å, b = 12.8731(4) Å, c = 15.8688(5) Å, β = 93.042(3)°, Z = 4, V = 1528.73(9) Å 3 , R gt ( F ) = 0.0264, wR ref = 0.0485, T = 100 K.
Open Access
The crystal structure of [(2,2′-bipyridine-k² N,N)-bis(6-phenylpyridine-2-carboxylate-k² N,O)copper(II)], C₃₄H₂₄N₄O₄Cu

February 18, 2022

Feng Yi-Min, Tai Xi-Shi, Xia Yu-Pei

Page range: 285-287

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C 34 H 24 N 4 O 4 Cu, monoclinic, C 2/ c (no. 15), a = 17.2931(15) Å, b = 10.3584(5) Å, c = 17.5641(16) Å, β = 120.180(12)°, V = 2719.8(5) Å 3 , Z = 4, R gt ( F ) = 0.0282, wR ref ( F 2 ) = 0.0681, T = 199.99(10) K.
Open Access
Crystal structure of trans-1,2-bis(pyridinium-4-yl) ethylene bis(2-carboxy-4-bromobenzoate) – water (1/4), C₁₄H₁₄BrNO₆

February 21, 2022

Yuan Wei-Wei

Page range: 289-291

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C 14 H 14 BrNO 6 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 6.9693(3) Å, b = 8.6514(5) Å, c = 13.6726(8) Å, α = 72.774(5)°, β = 81.547(4)°, γ = 74.370(4)°, V = 756.26(7) Å 3 , Z = 2, R gt ( F ) = 0.0341, w R ref ( F 2 ) = 0.0689, T = 290.7(3) K.
Open Access
Crystal structure of poly[diaqua-(μ₃-fumarato)-(μ₃-maleato)-(μ₄-1,2,4,5-tetrakis((1H-1,2,4-triazol-1-yl)methyl)benzene)tetracadmium(II)] dihydrate, C₃₄H₃₂N₁₂O₉Cd₄

February 18, 2022

Hua-Rui Wang

Page range: 293-295

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C 34 H 32 N 12 O 9 Cd 4 , monoclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.894(2) Å, b = 9.942(2) Å, c = 10.896(2) Å, α = 94.35(3)°, β = 96.80(3)°, γ = 93.35(3)°, V = 1058.7(4) Å 3 , Z = 1, R gt ( F ) = 0.0406, wR ref ( F 2 ) = 0.0984, T = 293(2) K.
Open Access
Crystal structure of a second modification of Pachypodol, C₁₈H₁₆O₇

February 18, 2022

Chuan-Yan Xu, Ming-Hong Dong, Jiang-Hai Ye, Chen-Liang Zhao, Juan Zou, Jing-Jie Zhang

Page range: 297-299

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C 18 H 16 O 7 , monoclinic, P 2 1 / c (no. 14), a = 7.3948(3) Å, b = 24.2947(9) Å, c = 17.3201(6) Å, β = 93.063(1)°, V = 3107.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0427, wR ref ( F 2 ) = 0.1241, T = 300(2) K.
Open Access
Crystal structure of methyl 2-(4-(2-(cyclopentyl-amino)-1-(N-(4-methoxyphenyl)-1-methyl-5-phenyl-1-H-pyrazole-3-carboxamido)-2-oxoethyl)phenyl)acetate, C₃₄H₃₆N₄O₅

February 15, 2022

Youlu Zhang, Fengwei Ma, Bo Zhang, Xia Mi, Jingyu Zhang

Page range: 301-303

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C 34 H 36 N 4 O 5 , monoclinic, C 2/ c (no. 15), a = 29.9636(9) Å, b = 20.4000(3) Å, c = 14.2266(4) Å, β = 132.845(5)°, V = 6376.0(5) Å 3 , Z = 8, R gt ( F ) = 0.0544, wR ref ( F 2 ) = 0.1735, T = 293(2) K.
Open Access
The crystal structure of catena-poly[(m₂-4,4′-bipyridine-κ² N:N)-bis(6-phenylpyridine-2-carboxylato-κ² N,O) zinc(II)], C₃₄H₂₄N₄O₄Zn

February 18, 2022

Li-Hua Wang, Xi-Shi Tai, Yu-Pei Xia

Page range: 305-307

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C 34 H 24 N 4 O 4 Zn, monoclinic, I 2/ a (no. 15), a = 18.2546(14) Å, b = 11.0510(7) Å, c = 16.1874(15) Å, β = 119.605(11)°, V = 2839.2(5) Å 3 , Z = 4, R gt ( F ) = 0.0302, wR ref ( F 2 ) = 0.0694, T = 200 K.
Open Access
The crystal structure of hexaquamagnesium(II) (2,4-bis(nitroimino)-6-oxo-1,3,5-triazinane-1,3-diide), C₃H₁₅MgN₇O₁₂

February 25, 2022

Zhang Tong, Zhang Guangyuan, Xu Zishuai, Ruan Jian, Chen Lizhen, Wang Jianlong

Page range: 309-310

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C 3 H 15 MgN 7 O 12 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 6.7755(2) Å, b = 9.8181(3) Å, c = 11.0775(4) Å, α = 87.717(1)°, β = 78.297(1)°, γ = 70.804(1)°, V = 681.18(4) Å 3 , Z = 2, R gt ( F ) = 0.0382, w R ref ( F 2 ) = 0.1083, T = 150 K.
Open Access
The crystal structure of 7-Bromo-2-(4-chloro-phenyl)-quinoxaline, C₁₄H₉BrClN₂

February 18, 2022

Lilei Zhang, Tianyu Cheng

Page range: 311-313

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C 14 H 8 BrClN 2 , monoclinic, P 2 1 / n (no. 14), a = 17.1347(11) Å, b = 3.8441(2) Å, c = 18.4127(12) Å, β = 97.861(2)°, V = 1201.40(13) Å 3 , Z = 4, R gt ( F ) = 0.0388, wR ref ( F 2 ) = 0.1302, T = 170 K.
Open Access
Crystal structure of methyl 4-{[4-(4-cyanobenzamido)phenyl]amino}benzofuro[2,3-d]pyrimidine-6-carboxylate, C₂₆H₁₇N₅O₄

February 24, 2022

Pei-Xuan Li, Wei Hui, Qin-Qin Jing

Page range: 315-317

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C 46 H 38 N 10 S 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.9297(12) Å, b = 10.9926(15) Å, c = 12.6758(18) Å, α = 104.532(2)°, β = 96.312(2)°, γ = 112.398(2)° V = 1083.8(3) Å 3 , Z = 2, R gt ( F ) = 0.0398, wR ref ( F 2 ) = 0.1195, T = 296(2) K.
Open Access
The crystal structure of (4SR)-7-(3,4-dichlorobenzyl)-4,8,8-trimethyl-7,8-dihydroimidazo[5,1c][1,2,4]triazine-3,6(2H,4H)-dione, C₁₅H₁₆Cl₂N₄O₂

February 21, 2022

Nikolay T. Tzvetkov, Martina I. Peeva, Ivanka Tsakovska, Luigi Milella, Ilza Pajeva, Hans-Georg Stammler

Page range: 319-321

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C 15 H 16 Cl 2 N 4 O 2 , monoclinic, P 2 1 / c (no. 14), a = 26.2014(7) Å, b = 7.59320(10) Å, c = 17.9766(4) Å, β = 109.217(3)°, V = 3377.20(14) Å 3 , Z = 8, R gt ( F ) = 0.0503, wR ref ( F 2 ) = 0.1411, T = 100.0(1) K.
Open Access
Crystal structure of catena-poly[{μ₂-3-carboxy-2,3-bis((4-methylbenzoyl)oxy)propanoato-κ² O:O′}tris(methanol-κ¹ O)lanthanum(III)], C₆₃H₆₃LaO₂₇

February 23, 2022

Yingying Han, Sisi Feng, Liping Lu

Page range: 323-325

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C 63 H 63 LaO 27 , trigonal, R 3 (no. 146), a = 27.5427(11) Å, c = 7.7330(4) Å, V = 5080.3(5) Å 3 , Z = 3, R gt ( F ) = 0.037, wR ref ( F 2 ) = 0.096, T = 100 K.

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