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Zeitschrift für Kristallographie - New Crystal Structures

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Volume 238, Issue 5

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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

September 5, 2023

Page range: i-vii

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New Crystal Structures
Open Access
The crystal structure of (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ⁴N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C₄₀H₃₉SmN₈O₁₄

July 5, 2023

Hai-Ping Wang, Ci-Mao Zhang, Guo-Peng Huang, Jia-Jun Liang

Page range: 813-815

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C 40 H 39 SmN 8 O 14 , triclinic, P 1̄ (no. 2), a = 8.2799(1) Å, b = 16.6666(5) Å, c = 17.1471(3) Å, α = 73.549 ( 2 ) ∘ $73.549{(2)}^{\circ }$ , β = 89.123 ( 1 ) ∘ $89.123{(1)}^{\circ }$ , γ = 83.045(2)°, V = 2252.2(1) Å 3 , Z = 2, R g t ${R}_{gt}$ (F) = 0.0592, w R r e f $w{R}_{ref}$ ( F 2 ) = 0.1438, T = 297.71(13) K.
Open Access
The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(2-chloro-4-methyl phenolate-κ⁴N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV), C₂₇H₂₇Cl₂N₃O₆Ti

July 26, 2023

Mingjun Yang, Canghai Wang

Page range: 817-819

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C 27 H 27 Cl 2 N 3 O 6 Ti, monoclinic, P 2 1 / c (no. 14), a = 11.609(4) Å, b = 21.476(7) Å, c = 13.504(4) Å, β = 109.881(9)°, V = 3166.2(18) Å 3 , Z = 4, R gt ( F ) = 0.0623, w R ref ( F 2 ) = 0.1945, T = 100(1) K.
Open Access
N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C₁₈H₂₁FN₂O

July 5, 2023

Lamya H. Al-Wahaibi, Mohammed S. M. Abdelbaky, Santiago Garcia-Granda, Guido J. Reiss, Edward R. T. Tiekink, Ali A. El-Emam

Page range: 821-825

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C 18 H 21 FN 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.6377(5) Å, b = 14.4869(7) Å, c = 21.0557(13) Å, α = 98.583(5)°, β = 91.979(4)°, γ = 90.101(4)°, V = 3206.5(3) Å 3 , Z = 8, R gt ( F ) = 0.0815, w R ref ( F 2 ) = 0.1930, T = 172 K.
Open Access
Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C₄H₂N₃BrO₄·H₂O

July 5, 2023

Ana Radović, Gerald Giester, Zoran D. Tomić, David Kočović, Željko K. Jaćimović

Page range: 827-829

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C 4 H 2 N 3 BrO 4 ·H 2 O, monoclinic, P 2 1 / c (no. 14), a = 7.177(2) Å, b = 10.999(3) Å, c = 10.414(3) Å, β = 100.145 ( 11 ) ∘ $100.145{(11)}^{\circ }$ , V = 809.3(4) Å 3 , Z = 4, R g t ${R}_{\mathrm{g}\mathrm{t}}$ ( F ) = 0.0379, w R r e f $w{R}_{\mathrm{r}\mathrm{e}\mathrm{f}}$ ( F 2 ) = 0.0714, T = 200 K
Open Access
Crystal structure of dipyridine-k¹N-tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olato-k²O,O′)dysprosium(III), DyC₄₃H₆₇O₆N₂

June 26, 2023

Bo-Kai Ling, Ling-Yu Huang

Page range: 831-833

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DyC 43 H 67 O 6 N 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.384(3) Å, b = 13.502(4) Å, c = 16.972(5) Å, α = 94.903(4)°, β = 98.580(4)°, γ = 105.417(4)°, V = 2248.6(11) Å 3 , Z = 2, R gt ( F ) = 0.0519, wR ref ( F 2 ) = 0.1489, T = 150 K.
Open Access
Crystal structure of cyclo[tetraiodido-bis{μ₂-1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-isopropyl-imidazol)-k²N:N}dicadmiun(II)], C₂₆H₃₀N₁₀Cd₂I₄

July 25, 2023

Hai-Yan Yang, Hong-Fang Wang, Hui Li, Ying-Hua Li, Yao-Min Zhao

Page range: 835-836

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C 26 H 30 N 10 I 4 Cd 2 , monoclinic, P 2 1 / n (no. 14), a = 8.1164(10) Å, b = 15.9401(18) Å, c = 13.5531(17) Å, β = 96.067 ( 4 ) ∘ $96.067{(4)}^{\circ }$ , V = 1743.6(4) Å 3 , Z = 2, R g t ${R}_{gt}$ ( F ) = 0.0394, ωR ref ( F 2 ) = 0.1088, T = 273 K.
Open Access
The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C₂₆H₂₄N₂O₂

June 26, 2023

Weihao Da, Haonan Kong, Ruiyao Wang, Yi Lin

Page range: 837-839

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C 26 H 24 N 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 10.949(6) Å, b = 9.930(5) Å, c = 20.125(13) Å, β = 98.51(3)°, V = 2164(2) Å 3 , Z = 4, R gt ( F ) = 0.0465, w R ref ( F 2 ) = 0.1260, T = 296(2) K.
Open Access
The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C₂₇H₃₂FN₃O₉

August 1, 2023

Shu-Ting Lin, Can Lou, Cheng-Jun Jiang

Page range: 841-843

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C 27 H 32 FN 3 O 9 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.0932(4) Å, b = 11.8392(7) Å, c = 14.6782(8) Å, α = 87.860(3) ∘ , β = 76.795(2) ∘ , γ = 78.317(2)°, V = 1340.81(13) Å 3 , Z = 2, R gt ( F ) = 0.0559, wR ref ( F 2 ) = 0.1537, T = 170 K.
Open Access
Crystal structure of (μ₂-1-(4,4′-bipyridine-κ²N:N′)-bis[diaqua-(4-iodopyridine-2,6-dicarboxylato-κ³O,N,O′)–cobalt(II)], C₂₄H₂₀Co₂I₂N₄O₁₂

July 4, 2023

Dong-Feng Hong, Jia-Qi Ye, Wen-Bo Guo

Page range: 845-847

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C 24 H 20 Co 2 I 2 N 4 O 12 , monoclinic, P 2 1 / c (no. 14), a = 10.5649(3) Å, b = 18.6071(6) Å, c = 7.4403(2) Å, β = 92.388(2)°, Z = 4, V = 1461.36(7) Å 3 , R gt (F) = 0.032, w R ref (F 2 ) = 0.078, T = 293 K.
Open Access
The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C₄₉H₃₆N₄O₄Cl₂

August 1, 2023

Ze-en Xiao, Yiqun Wang, Hao Cui

Page range: 849-851

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C 49 H 36 N 4 O 4 Cl 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.3858(2) Å, b = 12.6484(4) Å, c = 12.7115(5) Å, α = 95.986(3)°, β = 102.790(3)°, γ = 95.563(3)°, V = 988.12(6) Å 3 , Z = 1, R gt ( F ) = 0.0603, w R ref ( F 2 ) = 0.1683, T = 150 K.
Open Access
(E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide C₁₄H₂₃N₃S₁

July 17, 2023

Zeng Rong, Huang Cong, Wu Yu-Fang, Peng Da-Yong, Chen Shang-Xing

Page range: 853-855

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[C 14 H 23 N 3 S 1 ], monoclinic, P 2 1 / c (no. 14), a = 15.1642(8) Å, b = 6.9215(3) Å, c = 15.2182(7) Å, β = 112.675(2)°, V = 1473.83(12) Å 3 , Z = 4, R gt ( F ) = 0.0453, w R ref ( F 2 ) = 0.1240, T = 296(2) K.
Open Access
The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C₁₆H₁₂F₃NO

July 5, 2023

Xuewei Pu, Fanjie Meng, Shaoliang Zhang

Page range: 857-859

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C 16 H 12 F 3 NO, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.9928(6) Å, b = 8.9764(8) Å, c = 21.216(2) Å, V = 1331.7(2) Å 3 , Z = 2, R gt ( F ) = 0.0583, w R ref ( F 2 ) = 0.1552, T = 298 K.
Open Access
Crystal structure of (E)-2-amino-N′-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide – dimethylformamide – water (1/1/2), C₁₅H₁₆N₄O₃·C₃H₇NO·2H₂O

July 17, 2023

Xue Wang, Jie Han, Jing Zheng, Xiao-Jing Yuan, Ying Xiong

Page range: 861-862

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C 18 H 27 N 5 O 6 , monoclinic, P 21/ n (no. 14), a = 11.6588(12) Å, b = 7.0645(6) Å, c = 25.700(3) Å, β = 94.899(3)°, V = 2109.0(4) Å 3 , Z = 4, R gt ( F ) = 0.0630, wR ref ( F 2 ) = 0.1632, T = 273 K.
Open Access
Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C₁₀H₉BrN₂

July 5, 2023

David Kočović, Snežana Mugoša, Sergiu Shova, Zoran D. Tomić, Željko K. Jaćimović

Page range: 863-865

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C 10 H 9 BrN 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.9070(3) Å, b = 9.2731(7) Å, c = 17.5641(14) Å, V = 962.09(12) Å 3 , Z = 4, R gt ( F ) = 0.0504, wR ref ( F 2 ) = 0.0947, T = 293(2) K.
Open Access
Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C₁₂H₉N₂Br

June 26, 2023

Adewale O. Adeloye, Hadley S. Clayton

Page range: 867-869

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C 12 H 9 N 2 Br, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.4005(13) Å, b = 9.4122(16) Å, c = 9.7916(17) Å, α = 98.235(9)°, β = 101.744(8) ° , γ = 111.005(7) ° , V = 605.69(18) Å 3 , Z = 2, R gt ( F ) = 0.0209, wR ref ( F 2 ) = 0.0514, T = 100(2) K.
Open Access
Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C₁₃H₁₀ClNO

July 12, 2023

Mo Du, Xiaona Xu, Hongjuan Tong

Page range: 871-873

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C 13 H 10 ClNO, monoclinic, P 2 1 (no. 4), a = 4.3011(7) Å, b = 11.2236(19) Å, c = 11.776(2) Å, β = 94.281(5)°, V = 566.90(16) Å 3 , Z = 2, R gt ( F ) = 0.0420, w R ref ( F 2 ) = 0.0827, T = 170 K.
Open Access
The crystal structure of nitroterephthalic acid, C₈H₅NO₆

July 5, 2023

Jeraldine Maire Bourletidis How, Andreas Lemmerer, Mark G. Smith

Page range: 875-876

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C 8 H 5 NO 6 , monoclinic, C 2/ c (no.15), a = 12.8112(9) Å, b = 11.7614(8) Å, c = 11.1954(8) Å, β = 100.726(3)°, V = 1657.4(2) Å 3 , Z = 8, R gt ( F ) = 0.042, wR ref ( F 2 ) = 0.1247, T = 173 K.
Open Access
Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C₁₇H₁₅BrCl₂N₂O₂

July 7, 2023

Cuiya Zhang, Xiaojuan Han, Wenqiang Tang

Page range: 877-878

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C 17 H 15 BrCl 2 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 20.333(7) Å, b = 11.226(5) Å, c = 7.843(3) Å, β = 99.651(8)°, V = 1764.8(12) Å 3 , Z = 4, R gt ( F ) = 0.0464, wR ref ( F 2 ) = 0.1601, T = 173 K.
Open Access
Crystal structure of tetraaqua-bis(ethanol-κO)-tetrakis(μ₂-trifluoroacetate-κ²O:O′)-bis(trifluoroacetate-κ²O)digadolinium(III) Gd₂C₁₆H₂₀O₁₈F₁₈

July 18, 2023

Bo-Kai Ling, Ling-Yu Huang

Page range: 879-880

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Gd 2 C 16 H 20 O 18 F 18 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.652(3) Å, b = 9.204(4) Å, c = 12.305(5) Å, α = 78.156(5)°, β = 72.483(5)°, γ = 62.797(4)°, V = 828.4(6) Å 3 , Z = 1, R gt ( F ) = 0.0227, wR ref ( F 2 ) = 0.0554, T = 150 K.
Open Access
The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C₅₀H₃₂Cl₆F₄N₄O₄

July 6, 2023

Bingcui Yang, Yuzhou Wang, Hao Cui

Page range: 881-883

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C 50 H 32 Cl 6 F 4 N 4 O 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.6447(6) Å, b = 12.5839(11) Å, c = 14.3335(11) Å, α = 85.845(7)°, β = 85.679(7)°, γ = 85.679(7)°, V = 1188.89(18) Å 3 , Z = 1, R gt ( F ) = 0.0605, wR ref ( F 2 ) = 0.1740, T = 200 K.
Open Access
The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C₆H₁₂O₄N₄

June 26, 2023

Chen Cong, Zhang Ruxin, Li Shiyu, Chen Lizhen, Wang Jianlong

Page range: 885-886

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C 6 H 12 O 4 N 4 , monoclinic, Cc (no. 9), a = 9.8171(4) Å, b = 16.1119(6) Å, c = 6.9125(5) Å, β = 121.443°, V = 932.81(9) Å 3 , Z = 4, R gt ( F ) = 0.0346, wR ref ( F 2 ) = 0.0894, T = 170 K.
Open Access
The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ³N,N,O)magnesium(II)]dihydrate, C₂₂H₁₈N₄O₆Mg

June 26, 2023

Tai Xi-Shi, Li Hong-Chang

Page range: 887-889

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C 22 H 18 N 4 O 6 Mg, orthorhombic, Pbca (no. 61), a = 15.3055(2) Å, b = 15.1214(2) Å, c = 18.1048(2) Å, V = 4190.19(9) Å 3 , Z = 8, R gt ( F ) = 0.0376, wR ref ( F 2 ) = 0.1069, T = 296 K.
Open Access
Crystal structure of poly[diaqua-(bis(μ₂-1,4-bis(imidazol-1-ylmethyl)benzene)-κ²N,N′] cobalt(II)-tetraqua-bis(1,4-bis(imidazol-1-ylmethyl)benzene)-κ¹N)-cobalt(II) di(2,5-thiophenedicarboxylate) dihydrate, C₆₈H₇₆Co₂N₁₆O₁₆S₂

August 22, 2023

Jie Chen, Yang Liu

Page range: 891-893

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C 68 H 76 Co 2 N 16 O 16 S 2 , monoclinic, P 2 1 / c (no. 14), a = 14.097(10) Å, b = 19.208(15) Å, c = 18.998(10) Å, β = 130.71(3)°, V = 3899(5) Å 3 , Z = 4, R gt ( F ) = 0.0361, w R ref ( F 2 ) = 0.0850, T = 296.15 K.
Open Access
Crystal structure of poly[chlorido-μ₂-chlorido-(μ₂-1-[(2-ethyl-4-methyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κN:N’)cadmium(II)], C₁₃H₁₅CdN₅Cl₂

August 21, 2023

Jun-Ya Du, Tan-peng Zhou, Jing Yang, Xia Wang

Page range: 895-897

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C 13 H 15 CdN 5 Cl 2 , monoclinic, P 2 1 / c (no. 14), a = 11.5514(4) Å, b = 16.7843(5) Å, c = 8.9691(3) Å, β = 101.927(3) ∘ , Z = 4, V = 1701.41(10) Å 3 , R gt ( F ) = 0.0379, wR ref ( F 2 ) = 0.1020, T = 293(2) K.
Open Access
The crystal structure of (4-hydroxybenzenesulfonate)-k¹O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ²N,N,μ₂O,O,κ²O, O)-(methanol)-cobalt(II) sodium(I), C₂₅H₂₇CoN₂NaO₉S

August 10, 2023

Shaoliang Zhang, Yanlan Wang, Shanshan Li

Page range: 899-901

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C 25 H 27 CoN 2 NaO 9 S, monoclinic, P 2 1 / c (no. 14), a = 12.8169(11) Å, b = 7.9965(7) Å, c = 25.597(2) Å, β = 91.530(2)°, V = 2622.5(4) Å 3 , Z = 4, R gt ( F ) = 0.0611, wR ref ( F 2 ) = 0.1596, T = 298 K.
Open Access
Crystal structure of (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C₁₇H₁₈F₆N₆O

August 1, 2023

Nian-Juan Pan, Chang Yan, Qiang Fei, Wen-Neng Wu

Page range: 903-905

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C 17 H 18 F 6 N 6 O, monoclinic, P 2 1 / n (no. 14), a = 9.9491(11) Å, b = 18.1523(17) Å, c = 11.7703(15) Å, β = 113.473(14)°, V = 1949.8(4) Å 3 , Z = 4, R gt ( F ) = 0.0606, wR ref ( F 2 ) = 0.1876, T = 169.99(10) K.
Open Access
Crystal structure of bis{[(cyclohexylimino)(phenylimino)-l5-(methyl)diethylazane-κ²N:N′]-(ethyl)-zinc(II)]}, C₃₈H₆₂N₆Zn₂

July 21, 2023

Hong-Fei Han, Hao-Yang Li, Song Wang, Xue-Hong Wei

Page range: 907-909

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C 38 H 62 N 6 Zn 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.5907(4) Å, b = 10.6743(4) Å, c = 11.2593(4) Å, α = 107.6980 ( 10 ) ∘ $107.6980{(10)}^{\circ }$ , β = 113.5840 ( 10 ) ∘ $113.5840{(10)}^{\circ }$ , γ = 97.2290 ( 10 ) ∘ $97.2290{(10)}^{\circ }$ , V = 965.12(6) Å 3 , Z = 1, R gt ( F ) = 0.0232, w R ref ( F 2 ) = 0.0577, T = 200(2) K.
Open Access
Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C₁₃H₈Br₂N₂OS₂

July 5, 2023

Fatmah A. M. Al-Omary, Olivier Blacque, Fahdah S. Alanazi, Edward R. T. Tiekink, Ali A. El-Emam

Page range: 911-913

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C 13 H 8 Br 2 N 2 OS 2 , monoclinic, Pc (no. 7), a = 13.4050(4) Å, b = 4.7716(1) Å, c = 11.7303(4) Å, β = 105.885 ( 3 ) ∘ $105.885{(3)}^{\circ }$ , V = 721.66(4) Å 3 , Z = 2, R g t ${R}_{gt}$ ( F ) = 0.0294, w R r e f $w{R}_{ref}$ ( F 2 = 0.0808, T = 160 K.
Open Access
Crystal structure of 10-methoxy-7,11b,12,13-tetrahydro-6H-pyrazino [2′,3′:5,6]pyrazino[2,1-a]isoquinoline, C₁₅H₁₆N₄O

July 17, 2023

Zi Wei Wang, Yu Yu

Page range: 915-916

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C 15 H 16 N 4 O, monoclinic, P 2 1 / c (no. 14), a = 10.3021(8) Å, b = 15.7835(13) Å, c = 8.3052(7) Å, β = 90.894 ( 7 ) ∘ $90.894{\left(7\right)}^{\circ }$ , V = 1350.29(19)
Open Access
The crystal structure of 1-propyl-2-nitro-imidazole oxide, C₆H₉N₃O₃

July 20, 2023

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

Page range: 917-918

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C 6 H 9 N 3 O 3 , monoclinic, P 2 1 / n (no. 14), a = 9.5584(4) Å, b = 6.7828(3) Å, c = 12.8337(6) Å, β = 103.8810(10) ∘ , V = 807.74(6) Å 3 , Z = 4, R gt ( F ) = 0.0455, wR ref ( F 2 ) = 0.1166, T = 170.0 K.
Open Access
The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid–2-ethoxybenzamide (1/1), C₁₇H₁₆N₂O₈

August 4, 2023

Shu-Ting Lin, Shen-Yang Huang, Jing Zou, Cheng-Jun Jiang

Page range: 919-921

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C 17 H 16 N 2 O 8 , monoclinic, P 2 1 / c (no. 14), a = 7.0825(4) Å, b = 15.6168(9) Å, c = 15.1086(9) Å, β = 93.3830(10)°, V = 1668.19(17) Å 3 , Z = 4, R gt ( F ) = 0.0543, wR ref ( F 2 ) = 0.1443, T = 170.15 K.
Open Access
The structure of RUB-1, (C₈H₁₆N)₆[B₆Si₄₈O₁₀₈], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores

July 17, 2023

Antje Gruenewald-Lueke, Isabel Grosskreuz, Hermann Gies, Bernd Marler

Page range: 923-925

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C 48 H 96 B 6 N 6 O 108 Si 48 , trigonal, R 3 ‾ m $R\overline{3}m$ (no. 166), a = 12.8892(1) Å, c = 22.3058(2) Å, V = 3209.23(4) Å 3 , Z = 1, density = 2.02(2) g·cm −3 , R ( F ) = 0.038, Chi 2 = 2.86, T = 293 K.
Open Access
The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ¹O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ³N,N′,N″)–manganese(II) dihydrate, C₄₂H₂₇MnN₅O₉·2H₂O

August 9, 2023

Xinyao Liu, Qianyu Liu, Leijie Xiao, Weiwei Fu

Page range: 927-929

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C 42 H 27 MnN 5 O 9 ·2H 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 12.4250(8) Å, b = 12.7259(8) Å, c = 14.2946(9) Å, α = 64.102(2)°, β = 79.774(2)°, γ = 62.453(2)°, V = 1801.9(2) Å 3 , Z = 2, R gt ( F ) = 0.0344, wR ref ( F 2 ) = 0.0951, T = 150 K.
Open Access
Crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis (3-(3-bromopropoxy)phenol), C₂₀H₂₂Br₂N₂O₄

July 17, 2023

Zhi-Yong Wang, Yang Liu, Jian-Ping Yuan, Qi-Long Zhang, Hong Xu, Ya-Li Huang

Page range: 931-932

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C 20 H 22 Br 2 N 2 O 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.0060(12) Å, b = 9.135(2) Å, c = 11.650(3) Å, V = 518.6(2) Å 3 , Z = 1, R gt ( F ) = 0.0474, w R ref ( F 2 ) = 0.1270, T = 273(2) K, β = 78.492(7).
Open Access
The crystal structure of 3-(2-hydroxyphenyl)-4-phenyl-6-(p-tolyl)-2H-pyran-2-one, C₂₄H₁₈O₃

July 26, 2023

Mengdan Wang, Junling Wang, Yafei Guo, Weiwei Lu, Jie Luo, Jun-Ying Ma

Page range: 933-935

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C 24 H 18 O 3 , monoclinic, P 2 1 / c (no. 14), a = 9.0474(7) Å, b = 19.9648(12) Å, c = 10.7153(3) Å, β = 104.175(2)°, V = 1876.6(3) Å 3 , Z = 4, R gt ( F ) = 0.0459, w R ref ( F 2 ) = 0.1183, T = 296 K.
Open Access
Crystal structure of bis(μ₂-2-(1,5-dimethyl–3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ⁴O:O,N,O′)-(nitrato-κ²O,O′)dicobalt(II), C₃₆H₃₂Co₂N₈O₄

August 15, 2023

Jiaze Tian, Siyi Miao, Xin Wan, Jin Mou, Zhenchang Zhang, Qiang Tang, Haixia Pang

Page range: 937-939

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C 36 H 32 Co 2 N 8 O 4 , monoclinic, P 2 1 / c (no. 14), a = 12.2971(12) Å, b = 13.1008(13) Å, c = 11.0864(11) Å, β = 99.174(2)°, V = 1763.2(3) Å 3 , Z = 2, R gt ( F ) = 0.0277, wR ref ( F 2 ) = 0.0818, T = 296 K.
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Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C₂₈H₃₆FNO₂

August 7, 2023

Lan Yue, Peng Wei, Jiang-Hei Ye, Kang He, Juan Zou

Page range: 941-943

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C 28 H 36 FNO 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.3277(3) Å, b = 11.9665(19) Å, c = 32.2419(19) Å, V = 2441.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0537, wR ref ( F 2 ) = 0.1403, T = 273(2) K.
Open Access
The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C₁₈H₁₇NO₃S

August 1, 2023

Chengzhe Shi, Xinlei Chen, Shouwen Jin, Shiyi Chen, Daqi Wang

Page range: 945-947

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C 18 H 17 NO 3 S, monoclinic, Cc (no. 9), a = 32.036(3) Å, b = 7.2154(7) Å, c = 7.4283(8) Å, β = 99.943(2) ∘ , V = 1691.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0343, wR ref ( F 2 ) = 0.0821, T = 298 K.
Open Access
Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C₁₈H₁₇N₃O₉

August 1, 2023

Hai-Lin Chen, Dong-Mei Yao, Ze-Ping Luo, Yan-Ping Wang, Yu-Mei Tang

Page range: 949-951

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C 18 H 17 N 3 O 9 , monoclinic, P 2 1 / c (no. 14), a = 15.3768(3) Å, b = 7.4510(2) Å, c = 15.6673(5) Å, β = 102.700(3) ∘ , V = 1751.13(8) Å 3 , Z = 4, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.1157, T = 100 K.
Open Access
Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C₁₄H₁₂Br₂N₂O

August 3, 2023

Wisdom A. Munzeiwa, Sizwe J. Zamisa, Bernard Omondi

Page range: 953-955

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C 14 H 12 Br 2 N 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.3470(3) Å, b = 9.4435(4) Å, c = 10.4335(4) Å, α = 78.943(2)°, β = 85.455(2)°, γ = 86.384(2)°, V = 707.37(5) Å 3 , Z = 2, R gt ( F ) = 0.0313, wR ref ( F 2 ) = 0.0927, T = 100 K.
Open Access
The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C₁₆H₁₁Cl₂FN₂

August 1, 2023

Yiting Li, Xiaochun Zhang, Xingshang Weng, Xuewen Zhuang

Page range: 957-958

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C 16 H 11 Cl 2 FN 2 , orthorhombic, Pbca (no. 61), a = 9.6732(3) Å, b = 15.5602(5) Å, c = 19.0881(6) Å, V = 2873.08(16) Å 3 , Z = 8, R gt ( F ) = 0.0361, w R ref ( F 2 ) = 0.0958, T = 193 K.
Open Access
Crystal structure of 1-(4–chlorophenyl)-4-benzoyl-3-methyl-1H-pyrazol-5-ol, C₁₇H₁₃ClN₂O₂

August 9, 2023

Li-Ying Xu, Chen-chen Chen, Meng-Qi Chen, Yue Chang, Rui-ge Sang, Heng-Qiang Zhang

Page range: 959-961

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C 17 H 13 ClN 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 5.3601(4) Å, b = 10.6233(7) Å, c = 25.2125(16) Å, β = 92.920(5)°, V = 1433.96(17) Å 3 , Z = 4, R gt ( F ) = 0.0495, w R ref ( F 2 ) = 0.1143, T = 173(10) K.
Open Access
The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C₄H₆O₂N₄

August 8, 2023

Cao Cai, Yan Yumin, Wen Zhiwei, Lian Pengbao, Wang Jianlong

Page range: 963-964

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C 4 H 6 O 2 N 4 , monoclinic, P 2/ c (no. 13), a = 14.6016(14) Å, b = 6.2077(6) Å, c = 12.9876(11) Å, β = 100.742(3) ∘ , V = 1156.60(19) Å 3 , Z = 8, R gt ( F ) = 0.0656, w R ref ( F 2 ) = 0.1524, T = 170 K .
Open Access
Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l²-germenediamine, C₆₃H₉₄B₂GeN₈

August 15, 2023

Bing Wang, Yi-Fei Hu, Di Wu

Page range: 965-968

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C 63 H 94 B 2 GeN 8 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 17.1750(7) Å, b = 19.1188(7) Å, c = 19.4359(8) Å, V = 6382.1(4) Å 3 , Z = 4, R gt ( F ) = 0.0539, wR ref ( F 2 ) = 0.1483, T = 170 K.
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The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C₁₅H₁₂Br_0.2Cl_0.8N₂O₃Re₁

August 21, 2023

Lehlohonolo Moherane, Marcus Makhatshwa, Frederick P. Malan, Hendrik G. Visser, Amanda-Lee E. Manicum

Page range: 969-971

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C 15 H 12 Br 0.2 Cl 0.8 N 2 O 3 Re 1 , monoclinic, P 2 1 / c (no. 14), a = 14.6713(4) Å, b = 11.4724(3) Å, c = 9.6206(3) Å, β = 106.592 (3), V = 1551.87(8) Å 3 , Z = 4, R gt ( F ) = 0.0452, w R ref ( F 2 ) = 0.1110, T = 149.99(10) K.
Open Access
Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C₂₆H₃₆N₆

August 15, 2023

Kiyoshi Fujisawa, Keigo Ageishi, Edward R. T. Tiekink

Page range: 973-976

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C 26 H 36 N 6 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 5.7137(2) Å, b = 10.4374(3) Å, c = 11.1141(3) Å, α = 104.980(3)°, β = 94.279(3)°, γ = 93.876(3)°, V = 635.89(3) Å 3 , Z = 1, R gt ( F ) = 0.0503, wR ref ( F 2 ) = 0.1220, T = 178 K.
Open Access
The crystal structure of poly[2-(4-carboxypyridin-3-yl)terephthalpoly[diaqua-(μ₄-2-(6-carboxylatopyridin-3-yl)terephthalato-κ⁵O,N:O′:O″,O‴)]) cadmium(II)] dihydrate, C₂₈H₂₀Cd₃N₂O₁₆

August 16, 2023

Wenqiang Li, Jingxiao Zhang

Page range: 977-979

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C 28 H 20 Cd 3 N 2 O 16 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.3205(3) Å, b = 9.9488(5) Å, c = 10.0326(5) Å, α = 104.473(4)°, β = 91.566(4)°, γ = 90.191(4)°, V = 707.19(6) Å 3 , Z = 1, R gt ( F ) = 0.0239, w R ref ( F 2 ) = 0.0576, T = 293 K.
Open Access
Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ¹N)cobalt(II)] tetrahydrate, C₂₆H₃₂CoN₂O₁₆

August 1, 2023

Xiaobo Bao, Chongchong Tian

Page range: 981-982

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C 26 H 32 CoN 2 O 16 , orthorhombic, Fdd 2 (no. 43), a = 24.8013(10) Å, b = 35.8890(16) Å, c = 6.9911(4) Å, V = 6222.7(5) Å 3 , Z = 8, R gt ( F ) = 0.0487, wR ref ( F 2 ) = 0.1462, T = 293(2) K.
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Crystal structure of bis(μ₂-azido-κ²N:N)-tetrakis(azido-κ¹N)-tetrakis(1,10-phenanthroline-κ²N,N′)dibismuth(III), C₄₈H₃₂N₂₆Bi₂

August 4, 2023

Zhi-Guo Zhong, Jing Li, Yu-Quan Feng

Page range: 983-985

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C 48 H 32 N 26 Bi 2 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 9.781(5) Å, b = 11.667(6) Å, c = 11.973(7) Å, α = 83.816(10)°, β = 74.471(10)°, γ = 66.120(8)°, V = 1203.7 (11) Å 3 , Z = 1, R gt ( F ) = 0.0435, w R ref ( F 2 ) = 0.1035, T = 293 K.
Open Access
Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C₃₀H₃₁NO₈

August 21, 2023

Lian-Hua Xu, Ju-Mei Shi, Hua-Bin Wang, Ying Zhou

Page range: 987-989

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C 30 H 31 NO 8 , triclinic, P ‾ $\overline{P}$ 1 (no. 2), a = 5.21720(10) Å, b = 9.2878(2) Å, c = 27.2825(5) Å, α = 82.199(2) ∘ , β = 88.113(2) ∘ , γ = 81.617(2) ∘ , V = 1295.66(5) Å 3 , Z = 2, R gt ( F ) = 0.0567, wR ref ( F 2 ) = 0.1548, T = 100 K.
Open Access
Crystal structure of poly[diaqua-(μ₂-1,3-di(1H-imidazol-1-yl)propane-κ²N:N′)-bis(μ₂-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C₂₇H₂₈N₄O₁₆Zn₂

August 10, 2023

Yan Zhang, Jia-Xin Wang, Pei-Pei Huang, Ting-Ting Wu, Jia-Hao Gao, Jiu-Fu Lu

Page range: 991-993

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C 27 H 28 N 4 O 16 Zn 2 , monoclinic, C 2/ c (no. 15), a = 13.0720(3) Å, b = 15.7589(5) Å, c = 15.7589(5) Å, β = 95.373(3)°, V = 3062.48(18) Å 3 , Z = 4, R gt ( F ) = 0.0499, w R ref ( F 2 ) = 0.1059, T = 294 K.
Open Access
Crystal structure of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, C₁₂H₁₄N₂

August 15, 2023

Yingfan Liu, Mengfei Wang

Page range: 995-997

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C 12 H 14 N 2 , monoclinic, P 2 1 / c (no. 14), a = 10.16290(10) Å, b = 8.25800(10) Å, c = 13.4328(2), β = 95.910(1) ∘ , V = 1121.36(2) Å 3 , Z = 4, R gt ( F ) = 0.0380, wR ref ( F 2 ) = 0.1126, T = 294 K.
Open Access
Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ²N,C)-[(methylsulfinyl)methane-κ¹S]platinum(II), C₁₃H₁₃ClN₂O₃PtS

August 10, 2023

Hao Zou, Wei Tan, Jian-Guo Zhang

Page range: 999-1000

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C 13 H 13 ClN 2 O 3 PtS, monoclinic, C 2/ c (no. 15), a = 7.9405(8) Å, b = 18.0744(18) Å, c = 21.513(2) Å, β = 98.781(1) ∘ , Z = 8, V = 3051.3(5) Å 3 , R gt ( F ) = 0.0535, wR ref ( F 2 ) = 0.0233, T = 296 K.
Open Access
The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C₁₁H₁₉N₇O₉

August 10, 2023

Zhao Guannan, Zhang Tong, Chen Jun, Pan Hongxia, Chen LiZhen, Wang Jianlong

Page range: 1001-1003

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C 11 H 19 N 7 O 9 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.2578(2) Å, b = 15.4188(5) Å, c = 17.6841(7) Å, V = 1706.30(1) Å 3 , Z = 4, R gt ( F ) = 0.0428, w R ref ( F 2 ) = 0.0972, T = 100 K.
Open Access
Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-dimethyl-1H-pyrazol-4-amine di-methanol solvate, C₁₈H₂₀N₆·2(CH₃OH)

August 16, 2023

Kiyoshi Fujisawa, Keigo Ageishi, Seigo Harakuni, Edward R. T. Tiekink

Page range: 1005-1008

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C 18 H 20 N 6 ·2(CH 3 OH), triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.0063(2) Å, b = 8.5627(5) Å, c = 12.8216(6) Å, α = 77.898(4)°, β = 89.301(4)°, γ = 76.601(4)°, V = 522.40(5) Å 3 , Z = 1, R gt ( F ) = 0.0577, w R ref ( F 2 ) = 0.1642, T = 178 K.
Open Access
Crystal structure of catena-poly[bis(μ₂-azido-k²N:N′)-(nitrato-K²N:N′)-bis(1,10-phenanthroline-K²N:N′)samarium(III)], C₂₄H₁₆N₁₁O₃Sm

August 10, 2023

Yu-Quan Feng

Page range: 1009-1011

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C 24 H 16 N 11 O 3 Sm, monoclinic, P 2 1 / c (no. 14), a = 6.745(6) Å, b = 21.943(19) Å, c = 16.132(14) Å, β = 95.362(13)°, V = 2378(4) Å 3 , Z = 4, R gt ( F ) = 0.0446, wR ref ( F 2 ) = 0.1162, T = 296 K.
Open Access
Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C₂₃H₂₅BrO₆

August 21, 2023

Hua-Bin Wang, Lian-Hua Xu, Ju-Mei Shi, Ying Zhou, Yong-Jia Hao

Page range: 1013-1015

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C 23 H 25 BrO 6 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.8451(3) Å, b = 7.9428(2) Å, c = 17.6360(6) Å, α = 90.146(3), β = 90.433(3) ∘ , γ = 99.307(3) ∘ , V = 1084.44(7) Å 3 , Z = 2, R gt ( F ) = 0.0464, wR ref ( F 2 ) = 0.1402, T = 297.37(10) K.
Open Access
Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C₅H₁₀N₃][C₈F₄O₄]

August 21, 2023

Kiyoshi Fujisawa, Seigo Harakuni, Keigo Ageishi, Edward R. T. Tiekink

Page range: 1017-1020

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2[C 5 H 10 N 3 ][C 8 F 4 O 4 ], monoclinic, P 2 1 / n (no. 14), a = 6.1490(2) Å, b = 11.0063(3) Å, c = 14.0214(3) Å, β = 94.386(5) ∘ , V = 946.16(5) Å 3 , Z = 2, R gt ( F ) = 0.0371, wR ref ( F 2 ) = 0.1127, T = 178 K.
Open Access
Crystal structure of 2-amino-4-(2-fluoro-4-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C₂₀H₁₈ClF₄N₃O

August 11, 2023

Wen-Xuan Li, Qing-Guo Meng, Gui-Ge Hou, Yong-Jun Liu, Meng Zhang

Page range: 1021-1023

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C 20 H 18 ClF 4 N 3 O, monoclinic, P 2 1 / c (no. 14), a = 9.6123(7) Å, b = 11.8692(7) Å, c = 16.9510(12) Å, β = 104.798(7) ∘ , V = 1869.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0444, wR ref ( F 2 ) = 0.1043, T = 293 K.
Open Access
Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C₁₃H₁₇N₆O₂

August 11, 2023

Zhi-Yong Wang, Peng-Xin Qian, Xian-Jiong Yang, Qi-Long Zhang, Hong Xu, Ya-Li Huang

Page range: 1025-1026

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C 8 H 8 N 6 ·C 5 H 9 O 2 , monoclinic, I 2/ a (no. 15), a = 13.2666(17) Å, b = 11.0435(15) Å, c = 19.778(3) Å, β = 92.707(10)°, V = 2894.4(7) Å 3 , Z = 8, R gt ( F ) = 0.0528, wR ref ( F 2 ) = 0.1511, T = 293(2) K.

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