Zeitschrift für Kristallographie - New Crystal Structures

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Volume 238, Issue 2

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Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Frontmatter

February 27, 2023

Page range: i-vii

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New Crystal Structures
Open Access
The crystal structure of methyl 2-((4-chloro-2-fluoro-6-((2,2,2-trifluoroethyl) thio)phenoxy)methyl)benzoate, C₁₇H₁₃ClF₄O₃S

December 26, 2022

Dongdong Liu, Lixin Zhang, Jing Zhang

Page range: 153-155

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C 17 H 13 ClF 4 O 3 S, monoclinic, P 21 / n (no. 14), a = 17.0097(10) Å, b = 4.4625(3) Å, c = 22.9520(19) Å, β = 102.933(7)°, V = 11698.0(2) Å 3 , Z = 4, R gt ( F ) = 0.0606, wR ref ( F 2 ) = 0.1605, T = 120 K.
Open Access
The crystal structure of 3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic monohydrate, C₁₀H₁₄O₆

December 21, 2022

Li-Ming Huang, Ying-Fan Xia, Hai-Bin Wang, Shu-Ting Lin, Jia-Rong Zhang, Cheng-Jun Jiang

Page range: 157-158

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C 10 H 14 O 6 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.5531(2) Å, b = 9.3964(3) Å, c = 9.5089(3) Å, α = 61.8330(10)°, β = 68.6230(10)°, γ = 86.5750(10)°, V = 548.80(3) Å 3 , Z = 2, R gt ( F ) = 0.0485, wR ref ( F 2 ) = 0.1438, T = 170.0 K.
Open Access
Crystal structure of 2-({[5-(adamantan-2-yl)-2-sulfanylidene-1,3,4-oxadiazolidin-3-yl]methyl}amino)benzonitrile, C₂₀H₂₂N₄OS

December 19, 2022

Lamya H. Al-Wahaibi, Olivier Blacque, Nora H. Al-Shaalan, Edward R. T. Tiekink, Ali A. El-Emam

Page range: 159-161

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C 20 H 22 N 4 OS, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.8528(3) Å, b = 11.3498(5) Å, c = 13.3896(9) Å, α = 114.083(5)°, β = 104.326(4)°, γ = 90.369(3)°, V = 914.38(9) Å 3 , Z = 2, R gt ( F ) = 0.0844, wR ref ( F 2 ) = 0.2217, T = 160 K.
Open Access
Crystal structure of 1-(3-bromopropyl)-2-((4-chlorophenoxy)methyl)-4-methyl-1H-benzo[d]imidazole, C₁₈H₁₈BrClN₂O

December 16, 2022

Ya-Huan Yu Wen, Pin Zhang, Bin Liu

Page range: 163-164

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C 18 H 18 BrClN 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.0583(4) Å, b = 9.2694(4) Å, c = 11.1183(4) Å, α = 83.1120(10)°, β = 72.2590(10)°, γ = 73.9400(10)°, V = 853.80(6) Å 3 , Z = 2, R gt ( F ) = 0.0381, wR ref ( F 2 ) = 0.0969, T = 170 K.
Open Access
Crystal structure of 2-methoxy-6-[(2-morpholin-4-yl-phenylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone, C₁₈H₁₉N₃O₅

January 24, 2023

Shi-Qi Zhang, Ming Li, Hai-Tao Zong

Page range: 165-166

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C 18 H 19 N 3 O 5 , orthorhombic, Pna 2 1 (no. 33), a = 15.5675(12) Å, b = 17.0299(13) Å, c = 6.2644(5) Å, V = 1660.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0322, w R ref ( F 2 ) = 0.0815, T = 296 K.
Open Access
The crystal structure of 2-(7-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]-pyrimidin-5-yl)-3-methoxyphenol, C₂₀H₁₈N₄O₄

January 12, 2023

Soon Young Shin, Dongsoo Koh

Page range: 167-169

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C 20 H 18 N 4 O 4 , orthorhombic, Pbca (no. 61), a = 7.670(4) Å, b = 15.679(8) Å, c = 29.170(17) Å, V = 3508(3) Å 3 , Z = 8, R gt ( F ) = 0.0497, w R ref ( F 2 ) = 0.1379, T = 243(2) K.
Open Access
The crystal structure of 3-(1-(2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl)ethylidene)chroman-2,4-dione dihydrate, C₂₀H₂₂N₂O₈

January 24, 2023

Nikola D. Radnović, Biljana R. Dekić, Milenko N. Ristić, Dragana M. Sejmanović, Marija S. Aksić, Biljana Krüger, Marko V. Rodić

Page range: 171-173

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C 20 H 22 N 2 O 8 , monoclinic, P 2 1 / c (no. 14), a = 8.7634(8) Å, b = 17.9290(18) Å, c = 12.8437(9) Å, β = 100.013(8)°, V = 1987.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0401, w R ref ( F 2 ) = 0.1026, T = 170 K.
Open Access
Crystal structure of 3,5,7-trimethoxy-3′,4′-methylenedioxy-flavone, C₁₉H₁₆O₇

January 17, 2023

Yong-cui Tan, Ji-Xin Li, Jiang-Hai Ye, Juan Zou, Ya-Hua Liu

Page range: 175-176

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C 19 H 16 O 7 , monoclinic, C 2/ c (no. 15), a = 30.5661(14) Å, b = 7.0209(3) Å, c = 17.2028(7) Å, β = 117.342(1)°, V = 3279.3(2) Å 3 , Z = 8, R gt ( F ) = 0.0489, wR ref ( F 2 ) = 0.1398, T = 273(2) K.
Open Access
The crystal structure of strictic acid, C₂₀H₂₆O₃

January 16, 2023

Yijv Li, Nengwu Zhao, Jianghai Ye, Fangfang Xu, Tiantian Li, Tianqiong Lang

Page range: 177-179

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C 20 H 26 O 3 , orthorhombic, P 2 1 2 1 2 (no. 18), a = 10.0361(11) Å, b = 18.542(2) Å, c = 9.7357(12) Å, V = 1811.7(4) Å 3 , Z = 4, R gt ( F ) = 0.0535, wR ref ( F 2 ) = 0.1553, T = 273(2) K.
Open Access
Crystal structure of 1,1′-(pyrazine-1,4-diyl)-bis(propan-2-one), C₁₀H₁₄N₂O₂

January 24, 2023

Qi-Di Zhong, Rui Wang, Kai-Hui Zhao, Yu-Wei Fu, Dong-Mei Li

Page range: 181-182

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C 10 H 14 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 4.1183(15) Å, b = 9.787(4) Å, c = 12.649(5) Å, β = 100.411(12)°, V = 501.4(3) Å 3 , Z = 2, R gt ( F ) = 0.0484, wR ref ( F 2 ) = 0.0925, T = 293 K. CCDC no.: 2222584
Open Access
The crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)urea, C₁₇H₂₁ClN₂O

January 24, 2023

Liansu Pang, Xiaojun Shao

Page range: 183-184

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C 17 H 21 ClN 2 O, orthorhombic, Pna 2 1 (no. 33), a = 9.2750(10) Å, b = 12.8640(17) Å, c = 13.483(2) Å, β = 90°, V = 1608.8(4) Å 3 , Z = 4, R gt ( F ) = 0.0681, w R ref ( F 2 ) = 0.1361, T = 293 K.
Open Access
The crystal structure of (2R,6′R)-2′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-2′-ene-3,4′-dione, C₁₆H₁₄Cl₂O₅

January 19, 2023

Meng Zhang, Yu-Bin Bai

Page range: 185-187

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C 16 H 14 Cl 2 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 23.2297(5) Å, b = 16.3509(3) Å, c = 8.7300(2) Å, V = 3315.89(12) Å 3 , Z = 8, R gt ( F ) = 0.0472, wR ref ( F 2 ) = 0.1268, T = 293 K.
Open Access
Synthesis and crystal structure of 1-((3R,10S,13R,17S)-3-((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]-phenanthren-17-yl)ethan-1-one, C₂₈H₄₁NO₂

January 19, 2023

Wen-Wen Zhang, Jiang-Hai Ye, Hua Huang, Juan Zou, Kang He

Page range: 189-191

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C 28 H 41 NO 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 10.4480(5) Å, b = 12.4188(6) Å, c = 18.3905(10) Å, V = 2386.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0608, wR ref ( F 2 ) = 0.1510, T = 273(2) K.
Open Access
Crystal structure of N-2,6-difluorobenzoyl-N′-[1-(3-chloro-4-methyl-phenyl)-4-cyano-1H-pyrazol-5-carbamoyl]urea, C₁₉H₁₂ClF₂N₅O₂

January 24, 2023

Nan Li, Zheng Li, Tian Ci Wang, Jun Miao, Haixia Wu, Jin Long Gao, Ju Chuan Shan

Page range: 193-195

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C 19 H 12 ClF 2 N 5 O 2 , monoclinic, P 2 1 / n (no. 14), a = 14.405(9) Å, b = 7.579(5) Å, c = 17.610(9) Å, β = 95.856(13)°, V = 1913(2) Å 3 , Z = 4, R gt ( F ) = 0.0464, wR ref ( F 2 ) = 0.1134, T = 296 K.
Open Access
Crystal structure of (−)-β-D-19-glucopiranosyl-9,15-dihydroxy kaurenoate, C₂₆H₄₀O₉

January 24, 2023

Lei Wang, Guang-Jie Li, Jiang-Hai Ye, Kang He, Juan Zou

Page range: 197-199

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C 26 H 40 O 9 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 22.6816(12) Å, b = 7.3911(3) Å, c = 15.6072(8) Å, V = 2616.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0455, wR ref ( F 2 ) = 0.1230, T = 273(2) K.
Open Access
Crystal structure of 7-hydroxy-6-(2-hydroxyethyl)-2H-chromen-2-one, C₁₁H₁₀O₄

January 20, 2023

Hua Huang, Jing Yang, Yi-chun Sun, Jiang-Hai Ye, Kang He, Juan Zou

Page range: 201-202

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C 11 H 10 O 4 , monoclinic, Pn (no. 7), a = 4.8622(5) Å, b = 6.7853(7) Å, c = 14.3349(17) Å, β = 96.556(3)°, V = 469.84(9) Å 3 , Z = 2, R gt ( F ) = 0.0512, wR ref ( F 2 ) = 0.1249, T = 273(2) K.
Open Access
Crystal structure of S-(benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine, C₁₁H₁₄N₂S₂

January 24, 2023

Yong-Hua Duan, Fei Yuan, Shi-Biao Hu, Jiang Bian, Ya-Fei Guo

Page range: 203-205

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C 11 H 14 N 2 S 2 , monoclinic, I 2/ a (no. 15), a = 11.4278(8) Å, b = 8.5816(6) Å, c = 25.1115(18) Å, β = 95.173(6)°, V = 2452.6(3) Å 3 , Z = 8, R gt ( F ) = 0.0416, wR ref ( F 2 ) = 0.1169, T = 293 K.
Open Access
Crystal structure of poly[di-µ₂-aqua-aqua-nitrato-κ²O,O′-(µ₃-2-nitroisophthalato-κ⁴O,O′:O″:O′″)barium(II)natrium(II)] monohydrate, C₈H₁₁BaN₂NaO₁₃

January 18, 2023

Guang Huang, Yalong Xing

Page range: 207-209

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C 8 H 11 BaN 2 NaO 13 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.4892(6) Å, b = 9.9140(9) Å, c = 11.3274(7) Å, α = 106.813(7)°, β = 98.508(6)°, γ = 107.024(7)°, V = 744.53(11) Å 3 , Z = 2, R gt ( F ) = 0.0316, wR ref ( F 2 ) = 0.0663, T = 292.6(6) K.
Open Access
The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ² N,O)-cobalt(II) dihydrate, C₁₄H₁₆N₆O₈Co

January 24, 2023

Dong-Feng Hong, Ao Guo, Xian-Ke Kou

Page range: 211-213

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C 14 H 16 N 6 O 8 Co, monoclinic, P 2 1 / n (no. 14), a = 6.3520 (6) Å, b = 11.7438 (8) Å, c = 11.7880 (9) Å, β = 96.562 (9)°, V = 873.58 (12) Å 3 , Z = 2, R gt ( F ) = 0.0508, wR ref ( F 2 ) = 0.0982, T = 290 K.
Open Access
Crystal structure of (S,E)-3-((pyridin-2-ylmethylene)amino)-2-(pyridin-4-yl)-2,3- dihydroquinazolin-4(1H)-one monohydrate, C₁₉H₁₅N₅O⋅H₂O

January 24, 2023

Ying Xiong, Gao Chuan, Ya An

Page range: 215-216

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C 19 H 15 N 5 O·H 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.1132(7) Å, b = 9.6788(9) Å, c = 11.0964(10) Å, α = 65.796(3)°, β = 79.406(3)°, γ = 87.484(3)°, V = 876.96(13) Å 3 , Z = 2, R gt ( F ) = 0.0482, wR ref ( F 2 ) = 0.1405, T = 273(2) K.
Open Access
Synthesis and crystal structure of 5-(8-(((5-carboxypentyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxy-3-nitrobenzenesulfonate monohydrate, C₂₂H₂₄N₂O₁₂S

January 24, 2023

Hai-Lin Chen, Yan-Ping Wang, Li-Wei Pan, Zheng Wei, Ling-Chan Tang

Page range: 217-219

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C 22 H 24 N 2 O 12 S, orthorhombic, Fdd 2 (no. 43), a = 38.8080(3) Å, b = 33.3993(3) Å, c = 7.16660(10) Å, V = 9289.06(17) Å 3 , Z = 16, R gt ( F ) = 0.0432, wR ref ( F 2 ) = 0.1223, T = 99.98(11) K.
Open Access
Synthesis and crystal structure of 8-bromo-3-(1H-pyrazole-1-carbonyl)-2H-chromen-2-one, C₁₃H₇BrN₂O₃

January 24, 2023

Zhi-Feng Hao, Shi-Jie Zhu, Chuan-Wen Lei, Ying Zhou

Page range: 221-222

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C 13 H 7 BrN 2 O 3 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.2968(6) Å, b = 7.6743(6) Å, c = 11.5698(12) Å, α = 77.255(8)°, β = 73.573(8)°, γ = 73.509(7)°, V = 588.90(10) Å 3 , Z = 2, R gt ( F ) = 0.0459, wR ref ( F 2 ) = 0.1089, T = 220 K.
Open Access
Crystal structure of E-7-fluoro-2-(4-methoxy-3-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₁₉H₁₄F₄O₂

January 30, 2023

Yi-Bin Liu, Yang-Rong Xu, Wen-Shui Wang, Sheng Jiang, Feng-Lan Zhao, Qing-Guo Meng

Page range: 223-225

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C 19 H 14 F 4 O 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.3798(6) Å, b = 9.2019(7) Å, c = 10.4504(7) Å, α = 77.941(6)°, β = 85.712(6) , γ = 79.078(6)°, V = 773.25(10) Å 3 , Z = 2, R gt ( F ) = 0.0458, wR ref ( F 2 ) = 0.1165, T = 100 K.
Open Access
Hydrogen bonded dimers in the crystal structure of 2-chloro-N-((3,5-dimethylphenyl)carbamoyl)-nicotinamide, C₃₀H₂₈Cl₂N₆O₄

January 19, 2023

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

Page range: 227-229

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C 30 H 28 Cl 2 N 6 O 4 , monoclinic, P 2 1 / n (no. 14), a = 15.812(5) Å, b = 8.820(3) Å, c = 22.615(7) Å, β = 109.814(10)°, V = 2967.2(16) Å 3 , Z = 8, R gt ( F ) = 0.0489, wR ref ( F 2 ) = 0.1302, T = 296(2) K.
Open Access
Crystal structure of 3,3′-(1,4-phenylenebis(methylene))bis(1-allyl-1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C₁₀H₁₂F₆N₂P

January 18, 2023

Kun Yuan, Su-Qin Wu, Xu-Liang Nie, Wan-Ming Xiong, Jing Chen

Page range: 231-233

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[C 10 H 11 N 2 + , PF 6 − ], triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.9854(3) Å, b = 9.1004(3) Å, c = 9.2312(3) Å, α = 66.667(3)°, β = 74.875(3)°, γ = 74.024(3)°, V = 656.40(4) Å 3 , Z = 2, R gt ( F ) = 0.0513, wR ref ( F 2 ) = 0.1515, T = 296(2) K.
Open Access
Crystal structure of (E)-7-bromo-2-(4-(4-methylpiperazin-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₂₂H₂₃BrN₂O

January 24, 2023

Qin-Bing Qi, Wen-Xuan Li, Gui-Ge Hou, Cheng-Bo Li

Page range: 235-237

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C 22 H 23 BrN 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.0543(1) Å, b = 11.4893(1) Å, c = 16.5853(1) Å, α = 93.152(1)°, β = 91.877(1)°, γ = 97.097(1)°, V = 1896.81(3) Å 3 , Z = 4, R gt ( F ) = 0.0318, wR ref ( F 2 ) = 0.0840, T = 293 K.
Open Access
Crystal structure of pentacarbonyl-(μ₂-ethane-1,2-dithiolato-κ⁴S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ¹P)diiron (Fe–Fe), C₂₆H₂₁Fe₂O₅PS₂

January 24, 2023

Lu-Yan Bi, Xu-Feng Liu

Page range: 239-241

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C 26 H 21 Fe 2 O 5 PS 2 , orthorhombic, Pna 2 1 (no. 33), a = 20.9559(8) Å, b = 14.1567(6) Å, c = 9.1976(4) Å, V = 2728.6(2) Å 3 , Z = 4, R gt ( F ) = 0.0217, wR ref ( F 2 ) = 0.0570, T = 296(2) K.
Open Access
Crystal structure of 9-(2-chloroethoxy)-4-(4-methoxy-3-(trifluoromethyl)phenyl)- 5,6-dihydrobenzo[h]quinazolin-2-amine, C₂₂H₁₉ClF₃N₃O₂

January 30, 2023

Rong-Kai Li, Chun-Hua Wang, Gui-Ge Hou, Cheng-Bo Li

Page range: 243-245

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C 22 H 19 ClF 3 N 3 O 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.8138(7) Å, b = 10.9739(7) Å, c = 11.6878(9) Å, α = 62.633(7)°, β = 67.095(7)°, γ = 68.817(6)°, V = 1003.78(14) Å 3 , Z = 2, R gt ( F ) = 0.0454, w R ref ( F 2 ) = 0.1158, T = 293 K.
Open Access
Crystal structure of triaqua-[5-bromo-2-(carboxylatomethoxy)benzoate-κ³ O,O′,O″]nickel(II), C₉H₁₁BrNiO₈

January 24, 2023

Pan-Lei Xiao, Xin-Ting Xiong, Xiao-Hui Ou-Yang, Yue Ren, Xu-Liang Nie

Page range: 247-248

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C 9 H 11 BrNiO 8 , monoclinic, P 2 1 / c (no. 14), a = 8.5077(16) Å, b = 6.7688(13) Å, c = 22.459(4) Å, β = 98.188(2)°, V = 1280.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0256, wR ref ( F 2 ) = 0.0585, T = 296(2) K.
Open Access
The crystal structure of 4,4′-dichloro-3,5′-diphenyl-1′H-1,3′- bipyrazole, C₁₈H₁₂Cl₂N₄

January 24, 2023

Lutong Wang, Sufang Lei, Yuanxiang Li

Page range: 249-252

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C 18 H 12 Cl 2 N 4 , monoclinic, Pn (no. 7), a = 11.832(3) Å, b = 11.326(3) Å, c = 23.837(6) Å, β = 96.706(4)°, V = 3172.7(14) Å 3 , Z = 8, R gt ( F ) = 0.0517, w R ref ( F 2 ) = 0.1281. CCDC no.: 2225569
Open Access
The crystal structure of bis(1H-pyrazole-carboxamidine-κN,N′)bis(nitrato-κO)-copper(II), C₈H₁₂CuN₁₀O₆

January 24, 2023

Soňa Kohúteková, Irena Matulková, Ivana Císařová, Ivan Němec

Page range: 253-255

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C 8 H 12 CuN 10 O 6 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.6063(5) Å, b = 9.3072(7) Å, c = 10.8485(8) Å, α = 81.370(2)°, β = 75.503(2)°, γ = 84.756(2)°, V = 733.97(9) Å 3 , Z = 2, R gt ( F ) = 0.0515, w R ref ( F 2 ) = 0.1194, T = 120(2) K.
Open Access
Synthesis and crystal structure of 3-bromo-4-phenyl-2H-chromene, C₁₅H₁₁BrO

January 19, 2023

Yun-Hao Tang, Fei Li, Yu-Zhu Yang, Wei-Dong Pan

Page range: 257-258

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C 15 H 11 BrO, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.0696(9) Å, b = 10.1112(10) Å, c = 10.9318(13) Å, α = 104.938(10)°, β = 104.246(12)°, γ = 97.021(10)°, V = 615.82(14) Å 3 , Z = 2, R gt ( F ) = 0.0573, wR ref ( F 2 ) = 0.1355, T = 293(2) K.
Open Access
Crystal structure of (E)-5-(diethylamino)-2-((morpholinoimino)methyl)phenol, C₁₅H₂₃N₃O₂

January 24, 2023

Shi-Lin Zhang

Page range: 259-260

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C 15 H 23 N 3 O 2 , monoclinic, P 2 1 (no. 4), a = 7.5122(15) Å, b = 7.8955(16) Å, c = 12.875(3) Å, β = 92.919(3)°, V = 762.7(3) Å 3 , Z = 2, R gt ( F ) = 0.0545, w R ref ( F 2 ) = 0.1802, T = 293(2) K.
Open Access
Crystal structure of niobium trigallide, NbGa₃

January 30, 2023

Jasper Arne Baldauf, Theresa Block, Rainer Pöttgen

Page range: 261-263

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NbGa 3 , tetragonal, I 4/ mmm (no. 139), a = 3.7930(6) Å, c = 8.7049(13) Å, V = 125.24(3) Å 3 , Z = 2, R gt ( F ) = 0.0303, wR ref ( F 2 ) = 0.0702, T = 293 K.
Open Access
Crystal structure of dimethyl 4,4′-(((1R, 2R)-cyclohexane-1,2-diyl)bis(azanediyl))dibenzoate, C₂₂H₂₆N₂O₄

February 1, 2023

Ting Pan, Da-Bin Shi

Page range: 265-267

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C 22 H 26 N 2 O 4 , trigonal, P 3 2 (no. 145), a = 8.0196(2) Å, c = 26.2366(5) Å, V = 1461.31(8) Å 3 , Z = 3, R gt ( F ) = 0.0290, wR ref ( F 2 ) = 0.0829, T = 149.99(10) K.
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Crystal structure of dimethyl 4,4′-((4R, 5R)-4,5-diphenylimidazolidine-1,3-diyl)dibenzoate, C₃₁H₂₈N₂O₄

February 1, 2023

Kui Zhang, Da-Bin Shi

Page range: 269-271

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C 31 H 28 N 2 O 4 , monoclinic, P 2 1 (no. 4), a = 10.2166(2) Å, b = 11.5327(2) Å, c = 11.6484(2) Å, β = 109.637(2)°, V = 1292.65(5) Å 3 , Z = 2, R gt ( F ) = 0.0502, wR ref ( F 2 ) = 0.1312, T = 149.9(5) K.
Open Access
The crystal structure of 2-(2-bromophenyl)-4-phenylbenzo[b][1,4]oxaphosphinine 4-oxide, C₂₀H₁₄BrO₂P

January 30, 2023

Xiaozhen Xu, Na Xu, Shengtao Ma, Xinan Wu, Junling Zhang

Page range: 273-275

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C 20 H 14 BrO 2 P, monoclinic, P 2 1 / c (no. 14), a = 11.9837(14) Å, b = 9.9901(12) Å, c = 14.3621(18) Å, β = 94.873(2)°, V = 1713.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0598, wR ref ( F 2 ) = 0.1925, T = 296.15 K.
Open Access
The crystal structure of 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one, C₁₈H₂₁NO₄

January 24, 2023

Vidak Raičević, Nikola D. Radnović, Marko V. Rodić, Niko S. Radulović

Page range: 277-280

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C 18 H 21 NO 4 , orthorhombic, C 222 1 (no. 20), a = 10.6891(2) Å, b = 11.8375(2) Å, c = 25.4410(4) Å, V = 3219.11(10) Å 3 , Z = 8, R gt ( F ) = 0.0483, wR ref ( F 2 ) = 0.1449, T = 295 K.
Open Access
Crystal structure of catena-poly[[μ₂-1,3-bis[(1H-imidazol-1- yl)methyl]benzene-N:N′]-(μ₂–D–camphorato-O, O′: O″, O‴)cadmium(II)], C₄₈H₅₆Cd₂N₈O₈

January 30, 2023

Hong-Shun Sun

Page range: 281-284

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C 48 H 56 Cd 2 N 8 O 8 , monoclinic, P 2 1 (no. 4), a = 10.7150(6) Å, b = 15.5902(8) Å, c = 14.3463(7) Å, β = 91.032(2)°, V = 2396.1(2) Å 3 , Z = 2, R gt ( F ) = 0.0504, wR ref ( F 2 ) = 0.1339, T = 173 K.
Open Access
Crystal structure of N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carbothioamide, C₁₈H₁₇BrF₃N₃S

January 31, 2023

Mohammad M. Al-Sanea, Olivier Blacque, Ahmed A. B. Mohamed, Edward R. T. Tiekink, Ali A. El-Emam

Page range: 285-288

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C 18 H 17 BrF 3 N 3 S, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.6380(2) Å, b = 14.5082(3) Å, c = 14.8000(3) Å, α = 98.177(2)°, β = 97.015(2)°, γ = 91.111(2)°, V = 1820.89(7) Å 3 , Z = 4, R gt ( F ) = 0.0296, wR ref ( F 2 ) = 0.0783, T = 160 K.
Open Access
The crystal structure of cis-Dicyano-bis(2,2′-bipyridine)k²N,N′-chromium(III) hexafluorophosphate, C₂₂H₁₆N₆F₆PCr

January 30, 2023

Linhai Zhuo, Jinjun Zhang

Page range: 289-291

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C 22 H 16 N 6 F 6 PCr, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 11.3511(7) Å, b = 12.1350(8) Å, c = 17.3820(11) Å, V = 2394.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0388, wR ref ( F 2 ) = 0.1023, T = 293 K.
Open Access
Crystal structure of 4-((6-bromohexyl)oxy)-2-hydroxybenzaldehyde, C₁₃H₁₇BrO₃

February 1, 2023

Wen-Ze Zhao

Page range: 293-294

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C 13 H 17 BrO 3 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.5759(12) Å, b = 9.1690(12) Å, c = 9.9698(12) Å, α = 81.677(4)°, β = 76.029(4)°, γ = 63.441(4)°, V = 679.87(16) Å 3 , Z = 2, R gt ( F ) = 0.0433, wR ref ( F 2 ) = 0.1253, T = 302(2) K.
Open Access
Crystal structure of hydrazinium methanesulfonate, CH₈N₂O₃S

January 30, 2023

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

Page range: 295-297

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CH 8 N 2 O 3 S, monoclinic, P 2 1 / c (no. 14), a = 9.7583 (16) Å, b = 5.4033 (9) Å, c = 10.4729 (17) Å, β = 110.483 (4)°, V = 517.29 (15) Å 3 , Z = 1, R gt ( F ) = 0.0225, w R ref ( F 2 ) = 0.0649, T = 150 K.
Open Access
Crystal structure of 1-(2-iodobenzoyl)-6-methoxy-1H-indole-3-carbaldehyde, C₁₇H₁₂INO₃

January 31, 2023

Yi-Fan Sun, Qian-Qian Tang, Yue Zhang, Fan Yang, Yong-Jun Liu, Wei Cong

Page range: 299-301

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C 17 H 12 INO 3 , monoclinic, P 2 1 / n (no. 14), a = 7.5319(5) Å, b = 7.9745(5) Å, c = 25.1313(17) Å, β = 98.459(7)°, V = 1493.04(17) Å 3 , Z = 4, R gt ( F ) = 0.0272, wR ref ( F 2 ) = 0.0595, T = 199.98(10) K.
Open Access
Crystal structure of bis(acridinium) tetrabromidomanganate(II), C₂₆H₂₀Br₄MnN₂

January 30, 2023

Kwang Ha

Page range: 303-304

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C 26 H 20 Br 4 MnN 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.5638(11) Å, b = 10.2013(11) Å, c = 14.6758(16) Å, α = 97.534(4)°, β = 93.522(4)°, γ = 113.149(4)°, V = 1295.1(3) Å 3 , Z = 2, R gt ( F ) = 0.0389, wR ref ( F 2 ) = 0.0953, T = 223 K.
Open Access
The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene)) bis(2-(tert-butyl)phenol), C₂₂H₂₈N₂O₂

January 31, 2023

Zhenxiu Xiao, Xin Deng, Wujiu Jiang, Weiwei Fu

Page range: 305-307

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C 22 H 28 N 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 6.463(3) Å, b = 14.889(6) Å, c = 10.282(4) Å, β = 95.105(5)°, V = 985.5(7) Å 3 , Z = 2, R gt ( F ) = 0.0425, wR ref ( F 2 ) = 0.1206, T = 296 (2) K.
Open Access
The crystal structure of the cocrystal di-μ₂-chlorido-tetramethyl-tetraphenyl-di-μ₃-oxido-dichloridotetratin(IV) – diphenyl-methyl-chloridotin(IV)(1/2), C₅₄H₅₈Cl₆O₂Sn₆

February 16, 2023

Beibei Xiao, Niping Xiang, Jiangxi Yu, Chengyong Wang, Bang Liu

Page range: 309-311

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C 54 H 58 Cl 6 O 2 Sn 6 , monoclinic, P 2 1 / c (no. 14), a = 9.5793(13) Å, b = 26.161(4) Å, c = 13.1326(18) Å, β = 109.124(2)°, V = 3109.5(7) Å 3 , Z = 2, R gt ( F ) = 0.0337, wR ref ( F 2 ) = 0.0763, T = 296 (2) K.
Open Access
Crystal structure of (3a7R,13bR)-3-((1R)-1-hydroxy-1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3,3a,4,5,11,11a,12,13,13b-decahydroindeno[5′,4′:4,5] cyclohepta[1,2-c]oxepin-9(1H)-one, C₃₀H₄₀O₅

February 7, 2023

Jiang-Hai Ye, Ren-Song Chen, Chuan-Yan Xu, Juan Zou, Jing-Jie Zhang

Page range: 313-315

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C 30 H 40 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.5012(3) Å, b = 15.3297(7) Å, c = 21.8138(14) Å, V = 2672.3(2) Å 3 , Z = 4, R gt ( F ) = 0.0537, wR ref ( F 2 ) = 0.1355, T = 273(2) K.
Open Access
Crystal structure of 1-(4-methoxyphenyl)-2-phenoxyethan-1-one, C₁₅H₁₄O₃

February 13, 2023

Shixiong Sun, Benbo Zhao, Ping Deng, Yuan Cheng

Page range: 317-318

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C 15 H 14 O 3 , M = 242.26 g/mol, monoclinic, P 2 1 / c (no. 14), a = 5.5859(10) Å, b = 24.818(4) Å, c = 9.3393(15) Å, β = 101.128(3)°, V = 1270.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0410, w R ref ( F 2 ) = 0.1394, T = 296(2) K.
Open Access
Crystal structure of trans-tetrakis(3-phenylpyridine-κN)bis(thiocyanato-κN)nickel(II), C₄₆H₃₆N₆NiS₂

February 7, 2023

Kwang Ha

Page range: 319-321

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C 46 H 36 N 6 NiS 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.1007(10) Å, b = 9.8108(10) Å, c = 11.8638(12) Å, α = 107.377(3)°, β = 107.333(3)°, γ = 91.254(4)°, V = 957.84(17) Å 3 , Z = 1, R gt ( F ) = 0.0248, wR ref ( F 2 ) = 0.0651, T = 223(2) K.
Open Access
Crystal structure of sodium catena-poly[bis(thiourea-κ¹S)-tetrakis(μ²-thiourea-κ²S,S)tricopper(I)] difumarate, C₁₄H₂₉Cu₃N₁₂NaO₈S₆

February 13, 2023

Jiehye Shin, Junghwan Do

Page range: 323-325

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C 14 H 29 Cu 3 N 12 NaO 8 S 6 , monoclinic, P 2/ n (no. 13), a = 15.357(2) Å, b = 5.441(2) Å, c = 19.885(2) Å, β = 106.386(3)°, V = 1594.1(6) Å 3 , Z = 2, R gt ( F ) = 0.0374, wR ref ( F 2 ) = 0.1069, T = 100 K.
Open Access
Crystal structure of bis(benzylamine-κ¹N)-bis((E)-2-methyl-3-phenylacrylato-κ¹O)copper(II), C₃₄H₃₆CuN₂O₄

February 13, 2023

Sunhwa Moon, Jiehye Shin, Kang Min Ok, Junghwan Do

Page range: 327-329

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C 34 H 36 CuN 2 O 4 , monoclinic, P 2 1 / n (no. 14), a = 15.4951(2) Å, b = 5.62730(10) Å, c = 17.3541(2) Å, β = 90.831(1)°, V = 1513.04(4) Å 3 , Z = 2, R gt ( F ) = 0.0415, wR ref ( F 2 ) = 0.0986, T = 296 K.
Open Access
The crystal structure of 3,4-dihydroxybenzoic acid – 3-[7-{[2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol – water (1/1/1), C₃₀H₃₆F₂N₆O₉S

February 14, 2023

Ying-Fan Xia, Rong-Bin Lu, Wei-Jie Sun, Shu-Ting Lin, Jia-Rong Zhang, Cheng-Jun Jiang

Page range: 331-333

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C 30 H 36 F 2 N 6 O 9 S, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.2364(8) Å, b = 10.0250(14) Å, c = 59.689(9) Å, V = 3133.4(8) Å 3 , Z = 4, R gt ( F ) = 0.0384, wR ref ( F 2 ) = 0.0969, T = 170 K.
Open Access
Crystal structure of catena-poly[dipyridine-bis(pyridine-2-carboxylato-κ ² N,O)-bis(μ ₂-pyridine-2-carboxylato-κ ² N,O)-dinickel(II)], C₃₄H₂₆N₆Ni₂O₈

February 13, 2023

Kwang Ha

Page range: 335-337

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C 34 H 26 N 6 Ni 2 O 8 , monoclinic, P 2 1 / n (no. 14), a = 12.4072(8) Å, b = 13.5186(10) Å, c = 19.4750(14) Å, β = 92.902(2)°, V = 3262.3(4) Å 3 , Z = 4, R gt ( F ) = 0.0304, w R ref ( F 2 ) = 0.0809, T = 223 K.
Open Access
The crystal structure of 1-((1-methyl-1H-1,2,4-triazol-3-yl) methyl)-3-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4,6-trione, C₁₄H₁₁F₃N₆O₃

February 14, 2023

Yi-Jing Du, Hong-Shun Sun, Jian-Qiang Wang, Jia-Ying Xu

Page range: 339-340

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C 14 H 11 F 3 N 6 O 3 , orthorhombic, Pbca (no. 61), a = 8.08620(10) Å, b = 15.4730(2) Å, c = 23.5892(2) Å, V = 2951.43(6) Å 3 , Z = 8, R gt ( F ) = 0.0463, wR ref ( F 2 ) = 0.1395, T = 293 K.
Open Access
Crystal structure of (E)-2-((Z)-2-((1S,4R)-3,3-dimethylbicyclo[2.2.1] heptan-2-ylidene)ethylidene)hydrazine-1-carbothioamide, C₂₄H₃₈N₆S₂

February 14, 2023

Jia-Yu Chang, Qing-Ying Ding, Zhuan-Quan Xiao, Ji Zhang, Shang-Xing Chen

Page range: 341-342

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[C 24 H 38 N 6 S 2 ], triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.9953(4) Å, b = 7.6132(5) Å, c = 15.3709(10) Å, α = 82.089(5)°, β = 88.307(6)°, γ = 75.992(6)°, V = 674.24(8) Å 3 , Z = 1, R gt ( F ) = 0.0587, w R ref ( F 2 ) = 0.1516, T = 296(2) K.
Open Access
Crystal structure of photochromic 3-(5-(2,5-dimethylthiophen-3-yl)-2,2,3,3,4,4-hexafluorocyclopentyl)-2-methylbenzo[b]-thiophene, C₂₀H₁₄F₆S₂

February 14, 2023

Xianzhi Duan

Page range: 343-344

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C 20 H 14 F 6 S 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.6105(19) Å, b = 11.027(3) Å, c = 11.485(3) Å, α = 87.191(3)°, β = 69.130(2)°, γ = 69.679(2)°, V = 952.1(4) Å 3 , Z = 2, R gt ( F ) = 0.0344, wR ref ( F 2 ) = 0.0967, T = 296(2) K.
Open Access
Crystal structure of bis(2,5,5,7-tetramethyl-1,4-diazepane-1,4-diium) diaqua-bis(1,2-diaminopropane)copper(II) bis(μ₆-oxido)tetrakis(μ₃-oxido)-tetradecakis(μ₂-oxido)-octaoxido-decavanadium(V) – water (1/4), C₂₄H₇₆CuN₈V₁₀O₃₄

February 13, 2023

Yuan-Huan Deng, Qiong Wang

Page range: 345-347

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C 24 H 76 CuN 8 V 10 O 34 , monoclinic, P 2 1 / n (no. 14), a = 22.416(4) Å, b = 11.7003(18) Å, c = 20.079(3) Å, β = 95.594(7)°, V = 5241.2(14) Å 3 , Z = 4, R gt ( F ) = 0.0243, wR ref ( F 2 ) = 0.1110, T = 296(2) K.
Open Access
Crystal structure of 1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,4a,5,6,7,8,13b-decahydrobenzo[3′,4′]cycloocta[1′,2′:4,5]benzo[1,2-d][1,3]dioxole, C₂₄H₃₀O₇

February 15, 2023

Ren-Song Chen, Jiang-Hai Ye, Yu-Ling Luo, Chuan-Yan Xu, Juan Zou, Jing-Jie Zhang

Page range: 349-351

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C 24 H 30 O 7 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 11.4194(5) Å, b = 13.4657(6) Å, c = 14.7549(7) Å, V = 2268.86(18) Å 3 , Z = 4, R gt ( F ) = 0.0535, wR ref ( F 2 ) = 0.1239, T = 273(2) K.
Open Access
Crystal structure of bis(6-carboxyhexyl)-4,4′-bipyridinium dibromide – 2,6-dihydroxynaphthalene (1/2), C₄₂H₄₆Br₂N₂O₈

February 13, 2023

Xuewen Yu

Page range: 353-354

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C 42 H 46 Br 2 N 2 O 8 , monoclinic, P 2 1 / n (no. 14), a = 7.5393(9) Å, b = 10.7586(12) Å, c = 24.073(3) Å, β = 91.275(3)°, V = 1952.1(4) Å 3 , Z = 2, R gt ( F ) = 0.0446, wR ref ( F 2 ) = 0.1037, T = 293(2) K.
Open Access
Crystal structure of methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C₂₃H₂₁ClN₂O₅

February 14, 2023

Xiaona Xu, Zhoujing Zhu, Bin Liu

Page range: 355-357

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C 23 H 21 ClN 2 O 5 , monoclinic, P 2 1 / c (no. 14), a = 9.191(3) Å, b = 10.725(5) Å, c = 11.2390(10) Å, β = 109.869(13)°, V = 1041.9(6) Å 3 , Z = 2, R gt ( F ) = 0.0609, wR ref ( F 2 ) = 0.1695, T = 293 K.
Open Access
Crystal structure of bis(dimethylammonium) poly[{μ₄-1,1ʹ-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato)-κ⁶N⁴O²}zinc(II)], C₂₂H₂₆N₆O₈Zn

February 14, 2023

Yu-Pei Xia, Yu-Xin Huang

Page range: 359-360

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C 22 H 26 N 6 O 8 Zn, monoclinic, P 2 1 / c (no. 14), a = 10.9820(8) Å, b = 10.5260(7) Å, c = 12.0980(11) Å, β = 118.661(2)°, V = 1227.13(17) Å 3 , Z = 2, R gt ( F ) = 0.0352, w R ref ( F 2 ) = 0.1101, T = 298.15 K.
Open Access
Crystal structure of 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C₁₆H₁₃N₃O

February 14, 2023

Beibei Cui, Xia Mi, Jingyu Zhang

Page range: 361-362

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C 16 H 13 N 3 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.6087(4) Å, b = 9.6681(4) Å, c = 18.6600(9) Å, V = 1372.66(11) Å 3 , Z = 4, R gt ( F ) = 0.0420, wR ref ( F 2 ) = 0.1093, T = 293 K.
Open Access
Crystal structure of (E)-7-methoxy-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₂₂H₂₃NO₃

February 14, 2023

Xiao-Qian Yuan, Le-Hui Zhao, Jia-Jing Zhang, Gui-Ge Hou

Page range: 363-365

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C 22 H 23 NO 3 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.6505(4) Å, b = 9.9712(5) Å, c = 10.0845(4) Å, α = 68.177(4)°, β = 88.106(3)°, γ = 79.234(4)°, V = 884.30(7) Å 3 , Z = 2, R gt ( F ) = 0.0424, wR ref ( F 2 ) = 0.1150, T = 293 K.
Open Access
The crystal structure of N′¹,N′²-bis((E)-3-(tert-butyl)-2-hydroxybenzylidene)oxalohydrazide, C₂₄H₃₀N₄O₄

February 14, 2023

Zhenxiu Xiao, Tiantian Wang, Xin Deng, Wujiu Jiang, Yuxing Tan

Page range: 367-369

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C 24 H 30 N 4 O 4 , monoclinic, C 2/ c (no. 15), a = 21.170(3) Å, b = 13.2938(17) Å, c = 9.7133(12) Å, β = 114.423(2)°, V = 2489.0(5) Å 3 , Z = 4, R gt ( F ) = 0.0473, wR ref ( F 2 ) = 0.1424, T = 296(2) K.
Open Access
The crystal structure of trimethyl 2,2′,2′′-(benzene-1,3,5-triyltris(oxy))triacetate, C₁₅H₁₈O₉

February 14, 2023

Tiantian Wang, Yizi Su, Yunyun Feng, Yuxing Tan

Page range: 371-372

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C 15 H 18 O 9 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.4962(7) Å, b = 8.6835(7) Å, c = 11.9767(10) Å, α = 90.9650(10)°, β = 94.9460(10)°, γ = 115.9310(10)°, V = 790.21(11) Å 3 , Z = 2, R gt ( F ) = 0.0318, wR ref ( F 2 ) = 0.0855, T = 296(2) K.
Open Access
Crystal structure of bis(N,N-dimethylformamide-κO)-bis(pyridine-2-carboxylato-κ²N,O)-bis(μ₂-pyridine-2-carboxylato-κ²N,O)-dinickel(II), C₃₀H₃₀N₆Ni₂O₁₀

February 13, 2023

Kwang Ha

Page range: 373-375

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C 30 H 30 N 6 Ni 2 O 10 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.1314(5) Å, b = 9.4120(5) Å, c = 10.8608(5) Å, α = 68.1912(16)°, β = 70.7776(17)°, γ = 86.8173(18)°, V = 815.93(7) Å 3 , Z = 1, R gt ( F ) = 0.0207, w R ref ( F 2 ) = 0.0528, T = 223(2) K.
Open Access
Crystal structure of bis(μ₂-1-pyrenecarboxylato-κ³O,O′:O′)-bis(1-pyrenecarboxylato-κ²O,O′)-(benzimidazole-κ¹N)dicadmium(II), C₈₂H₄₈Cd₂N₄O₈

February 14, 2023

Peng-Fu Gao, Ting Li, Hong-Ru Fu

Page range: 377-379

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C 82 H 48 Cd 2 N 4 O 8 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.6031(3) Å, b = 10.6963(3) Å, c = 19.0717(7) Å, α = 98.967(3)°, β = 99.207(3)°, γ = 95.921(3)°, V = 1499.21(9) Å 3 , Z = 1, R gt ( F ) = 0.0396, w R ref ( F 2 ) = 0.0802, T = 293(2) K.
Open Access
One-pot synthesis and crystal structure of diethyl 2,6-dimethyl-4-(1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, C₂₁H₂₃N₅O₆

February 17, 2023

Irina S. Konovalova, Anna O. Geleverya, Sergiy M. Kovalenko, Guido J. Reiss

Page range: 381-384

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C 21 H 23 N 5 O 6 , monoclinic, P 2 1 / c (no. 14), a = 8.4861(4) Å, b = 16.3198(8) Å, c = 15.8521(8) Å, β = 97.605(5)°, V = 2176.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0463, wR ref = 0.1201, T = 293(2) K.
Open Access
The crystal structure of 1-(2-fluorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carbonitrile, C₁₈H₁₃FN₂O₂

February 14, 2023

Ma Siyuan, Guo Mengping

Page range: 385-387

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C 18 H 13 FN 2 O 2 , orthorhombic, Pbca (no. 61), a = 13.8082(4) Å, b = 9.7555(3) Å, c = 21.8116(7) Å, V = 2938.15(16) Å 3 , Z = 8, R gt ( F ) = 0.0402, w R ref ( F 2 ) = 0.1131, T = 293 K.
Open Access
Crystal structure of bis(trimethylphenylammonium) aqua-oxido-octathiotritungstate, (Me₃PhN)₂[W₃OS₈(H₂O)]

February 15, 2023

Kang-Woo Kim, Sunghyeon Kim

Page range: 389-390

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C 18 H 30 N 2 O 2 S 8 W 3 , orthorhombic, Pnma (no. 62), a = 17.0254(13) Å, b = 15.2534(10) Å, c = 11.8789(9) Å, V = 3084.9(4) Å 3 , Z = 4, R gt ( F ) = 0.0342, w R ref ( F 2 ) = 0.0856, T = 223 K.
Open Access
The crystal structure of trichlorido[N-[(2-oxyphenyl)methylidene]phenylglycinemethylester-κ³O,N,O′]-tin(IV) – methylene chloride (1/1), C₁₆H₁₄Cl₃NO₃Sn·CH₂Cl₂

February 16, 2023

Uwe Böhme, Gisela Weling

Page range: 391-393

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C 16 H 14 Cl 3 NO 3 Sn·CH 2 Cl 2 , monoclinic, P 2 1 / n (no. 14), a = 11.1341(4) Å, b = 10.5867(2) Å, c = 18.6979(6) Å, β = 93.126(3)°, V = 2200.7(1) Å 3 , Z = 4, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.0847, T = 213 K.
Open Access
The crystal structure of furan-2,5-diylbis((4-chlorophenyl)methanol), C₁₈H₁₄Cl₂O₃

February 17, 2023

Yanliang Yang, Yadi Li

Page range: 395-397

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C 18 H 14 Cl 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 10.3048(6) Å, b = 8.9620(5) Å, c = 18.0909(10) Å, β = 93.046(6)°, V = 1668.36(16) Å 3 , Z = 4, R gt ( F ) = 0.0646, w R ref ( F 2 ) = 0.1616, T = 293 K.
Open Access
The crystal structure of hexalithium decavanadate hexadecahydrate, H₃₂Li₆O₄₄V₁₀

February 16, 2023

Wanxing Liu, Baolei Wang, Yanbing Yang, Dong Liu, Yifan Dai, Meiyu Zhang

Page range: 399-401

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H 32 Li 6 O 44 V 10 , orthorhombic, Pnnm (no. 58), a = 10.3463(7) Å, b = 17.6637(14) Å, c = 9.2458(8) Å, V = 1689.7(2) Å 3 , Z = 2, R gt ( F ) = 0.0436, wR ref ( F 2 ) = 0.1271, T = 293 K.
Open Access
Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C₂₀H₃₀N₄O₃S

February 17, 2023

Mohammad M. Al-Sanea, Mohammed S. M. Abdelbaky, Santiago Garcia-Granda, Ahmed A. B. Mohamed, Edward R. T. Tiekink, Ali A. El-Emam

Page range: 403-405

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C 20 H 30 N 4 O 3 S, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.7152(3) Å, b = 10.6132(2) Å, c = 25.5990(7) Å, V = 2096.12(11) Å 3 , Z = 4, R gt ( F ) = 0.0579, wR ref ( F 2 ) = 0.1216, T = 293 K.
Open Access
Crystal structure of aqua(μ₂-2,2′,2″-((nitrilo)tris(ethane-2,1-diyl(nitrilo)methylylidene))tris (6-ethoxyphenolato))(pentane-2,4-dionato-κ²O,O′)-dinickel(II), C₃₈H₄₈N₄Ni₂O₉

February 17, 2023

Kwang Ha

Page range: 407-409

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C 38 H 48 N 4 Ni 2 O 9 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 12.3498(5) Å, b = 13.0376(6) Å, c = 13.2909(5) Å, α = 76.5677(14)°, β = 83.5128(13)°, γ = 62.3638(14)°, V = 1843.95(13) Å 3 , Z = 2, R gt ( F ) = 0.0308, wR ref ( F 2 ) = 0.0731, T = 223 K.

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