Zeitschrift für Kristallographie - New Crystal Structures

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Volume 239, Issue 6

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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

November 4, 2024

Page range: i-vi

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New Crystal Structures
Open Access
Crystal structure of 3-nitrophenol-2,1,3-benzoselenadiazole (1/1), C₁₂H₉N₃O₃Se

October 2, 2024

Jian-Ge Wang

Page range: 989-990

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C 12 H 9 N 3 O 3 Se, monoclinic, P 2 1 / c (no. 14), a = 3.9106(3) Å, b = 23.5453(14) Å, c = 13.4611(8) Å, β = 92.697 ( 6 ) ° $92.697(6){}^{\circ}$ , V = 1238.07(14) Å 3 , Z = 4, R gt ( F ) = 0.0432, ωR ref ( F 2 ) = 0.0786, T = 290 K.
Open Access
Crystal structure of diaqua-(hydroxido)-{μ-[2-(hydroxy)-5-[(4-nitrophenyl)diazenyl]benzoato]}-{2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoato}-(1,10-phenanthroline)-diterbium hydrate, C₃₈H_27.4N₈O_12.2Tb

October 25, 2024

Ying Wang, Mouyi Zhang, Lei Guan

Page range: 991-993

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C 38 H 27.4 N 8 O 12.2 Tb, monoclinic, P 2 1 / c (no. 14), a = 20.2057(8) Å, b = 15.9219(8) Å, c = 11.4635(4) Å, β = 95.150(1)°, V = 3673.1(3) Å 3 , Z = 4, R gt ( F ) = 0.0371, wR ref ( F 2 ) = 0.0838, T = 193.0 K.
Open Access
Crystal structure of poly[bis(μ₃-3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzoato-κ³ O:O′:N)cadmium(II)] – dimethylformamide (1/1), C₂₁H₁₇CdF₂N₇O₅

August 23, 2024

Yanqing Wang, Yifan Hao, Zhangjing Wang, Xiaoxu Lv, Fangjing Gu, Jiaxiang Chen, Lintao Dong

Page range: 995-997

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C 21 H 17 CdF 2 N 7 O 5 , monoclinic, C 2/ c (no. 15), a = 15.2452(2) Å, b = 16.1445(2) Å, c = 9.58901(14) Å, β = 101.0960(15)°, V = 2315.99(6) Å 3 , Z = 4, R gt ( F ) = 0.0281, wR ref ( F 2 ) = 0.0777, T = 273 K.
Open Access
The crystal structure of 2-amino-N-(pyridin-2-yl)benzamide, C₁₂H₁₁N₃O

August 20, 2024

Lin Yuan, Long-Sheng Zou, Xiao-Ming Chen

Page range: 999-1000

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C 12 H 11 N 3 O, monoclinic, P 2 1 / c (no. 14), a = 5.323(4) Å, b = 19.530(16) Å, c = 10.302(10) Å, β = 100.965(8)°, V = 1051.4(15) Å 3 , Z = 4, R gt ( F ) = 0.0314, w R ref ( F 2 ) = 0.0871, T = 296(2) K.
Open Access
The crystal structure of 2,3-di(pyridin-2-yl)-2,3-dihydroquinazolin-4(1H)-one, C₁₈H₁₄N₄O

October 1, 2024

Sheng-Jie Liu, Ying Zhang, Lin Yuan, Xiao-Ming Chen

Page range: 1001-1002

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C 18 H 14 N 4 O, orthorhombic, Pbca (no. 61), a = 7.963(3) Å, b = 12.629(5) Å, c = 30.116(11) Å, V = 3,028.3(19) Å 3 , Z = 8, R gt ( F ) = 0.0475, w R ref ( F 2 ) = 0.1444, T = 296(2) K.
Open Access
Crystal structure of 2-chloro-4-fluorobenzyl (R)-2-(6-methoxynaphthalen-2-yl)propanoate, C₂₁H₁₈ClFO₃

September 9, 2024

Guohua Chen

Page range: 1003-1005

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C 21 H 18 ClFO 3 , monoclinic, P 2 1 / c (no. 14), a = 34.657(5) Å, b = 6.0214(8) Å, c = 8.2301(11) Å, β = 93.883(5)°, V = 1713.5(4) Å 3 , Z = 4, R gt ( F ) = 0.0683, wR ref ( F 2 ) = 0.1435, T = 205(2) K.
Open Access
Crystal structure of [1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid]-(methylsulfinyl)methane, C₁₅H₁₆N₂O₆S

September 3, 2024

Hui-Bin Pan, Meng-Qi Tuo, Xia Gao, Jin Liu, Jiu-Fu Lu

Page range: 1007-1009

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C 15 H 16 N 2 O 6 S, monoclinic, P 2 1 / n (no. 14), a = 11.1325(3) Å, b = 6.2088(2) Å, c = 23.8080(6) Å, β = 99.266(2)°, V = 1,624.12(8) Å 3 , Z = 4, R gt ( F ) = 0.0431, wR ref ( F 2 ) = 0.1271, T = 293(2) K.
Open Access
The crystal structure of 2-ethyl-1,1-dimethyl-1H-benzo[e]indole, C₁₆H₁₇N

September 3, 2024

Pengjue Liu, Linlu Li, Fei Yang, Zongwei Wang, Libing Guo, Cuimeng Huo

Page range: 1011-1013

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C 16 H 17 N, orthorhombic, Pbca (no. 61), a = 10.3706(10) Å, b = 8.3879(7) Å, c = 29.555(3) Å, V = 2,570.9(4) Å 3 , Z = 8, R gt ( F ) = 0.0579, w R ref ( F 2 ) = 0.1327, T = 293(2) K.
Open Access
The crystal structure of (Z)-5-amino-N ^′-hydroxy-1H-pyrazole-4-carboximidamide, C₄H₇N₅O

August 20, 2024

Yunlu Li, Lujing Han, Bo Wang, Sitong Mu

Page range: 1015-1016

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C 4 H 7 N 5 O, monoclinic, P 2 1 (no. 4), a = 4.855(3) Å, b = 9.026(5) Å, c = 7.092(4) Å, β = 103.267(7)°, V = 302.5(3) Å 3 , Z = 2, R gt ( F ) = 0.0369, w R ref ( F 2 ) = 0.0960, T = 296 K.
Open Access
The crystal structure of 2,2,5-trimethyl-3-(4-(4-(5-phenyl-4,5-dihydroisoxazol-3-yl)thiazol-2-yl)phenyl)imidazolidin-4-one, C₂₄H₂₄N₄O₂S

September 6, 2024

Yifan Li, Huihui Zhong, Yan Guo, Linrun Wu, Ting Zhou

Page range: 1017-1019

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C 24 H 24 N 4 O 2 S, orthorhombic, P 2 1 2 1 2 1 (no. 19) a = 5.6357(3) Å, b = 18.8798(11) Å, c = 20.0148(11) Å, V = 2129.6(2) Å 3 , Z = 4, R gt ( F ) = 0.0668, wR ref ( F 2 ) = 0.1724, T = 100(2) K.
Open Access
The crystal structure of tetrakis(μ₂-acetato-κ² O:O′)-bis[(4′-phenyl-4,2′:6′,4″-terpyridine-κ¹ N)dicopper(II)], C₂₅H₂₁CuN₃O₄

September 4, 2024

Hong-Xin Duan, Rou Li, Zhi-Wei Zhou, Zhen Li, Wei-Wei Fu

Page range: 1021-1023

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C 25 H 21 CuN 3 O 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.935(4) Å, b = 10.849(6) Å, c = 13.782(7) Å, α = 77.946(9)°, β = 78.917(9)°, γ = 82.223(10)°, V = 1133.0(10) Å 3 , Z = 2, R gt ( F ) = 0.0703, wR ref ( F 2 ) = 0.1781, T = 293 K.
Open Access
Crystal structure of poly(3-thiophenecarboxylato-κ ³ O,O′:O′)-(methanol-κO)cadmium(II), C₁₁H₁₀O₅S₂Cd

October 24, 2024

Zhongyu Zhang, Yunli Liu, Bing Han, Xiaoxia Men

Page range: 1025-1026

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C 11 H 10 O 5 S 2 Cd, monoclinic, C 2/ c (no. 15), a = 18.303(5) Å, b = 10.806(3) Å, c = 13.859(4) Å, β = 95.074(4)°, V = 2730.4(14) Å 3 , Z = 8, R gt ( F ) = 0.0186, w R ref ( F 2 ) = 0.0488, T = 273.15 K.
Open Access
The crystal structure of dichloridobis[4′-(p-methoxylphenyl)-4,2′:6′,4″-terpyridine-κN] zinc(II), C₄₄H₃₄Cl₂N₆O₂Zn

September 4, 2024

Miao Lin, Meng-Qin Wu, Wei-Kun Ou, Qin Wan, Wei-Wei Fu

Page range: 1027-1029

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C 44 H 34 Cl 2 N 6 O 2 Zn, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 10.875(9) Å, b = 11.755(9) Å, c = 16.471(13) Å, α = 105.924(14)°, β = 97.552(13)°, γ = 104.507(13)°, V = 1,914(3) Å 3 , Z = 2, R gt ( F ) = 0.0455, wR ref ( F 2 ) = 0.1154, T = 296 K.
Open Access
The crystal structure of 1-(2-carboxyethyl)-1H-imidazole 3-oxide

August 20, 2024

Li Pengjuan, Yuan Jun, Zhang Jihui, Wang Jianlong

Page range: 1031-1032

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C 6 H 8 N 2 O 3 , monoclinic, P 2 1 / n (no. 14) a = 5.2014(4) Å, b = 13.4511(9) Å, c = 9.6808(6) Å, β = 97.867(3) ∘ , V = 670.94(8) Å 3 , Z = 4, R gt ( F ) = 0.0451, w R ref ( F 2 ) = 0.1308, T = 170 K.
Open Access
Crystal structure of 1,1′,1″-(nitrilotris(ethane-2,1-diyl))tris(3-(4-(((E)-pyridin-2-ylmethylene)amino)phenyl)urea), C₄₅H₄₇N₁₃O₄

September 6, 2024

Jie Li, Yinghan Dong, Mengying Qiu, Haiwei Han, Xiaoyan Pei

Page range: 1033-1036

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C 45 H 47 N 13 O 4 , triclinic, P 1̄ (no. 2), a = 10.242(6) Å, b = 14.766(15) Å, c = 15.503(8) Å, α = 70.91(2)°, β = 88.052(16)°, γ = 74.13(3)°, V = 2127(3) Å 3 , Z = 2, R gt ( F ) = 0.0411, wR ref ( F 2 ) = 0.1059, T = 120(2) K.
Open Access
Crystal structure of a (E)-4-bromo-N-(4-(diethylamino)-2-hydroxybenzylidene) benzenaminium acetate ─ 4-bromoaniline (1/1)

September 3, 2024

Segun D. Oladipo, Sizwe J. Zamisa, Robert C. Luckay

Page range: 1037-1039

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C 25 H 29 Br 2 N 3 O 3 , orthorhombic, Pbca (61), a = 20.109(5) Å, b = 10.754(5) Å, c = 24.321(5) Å, V = 5,259(3) Å 3 , Z = 8, R gt ( F ) = 0.0464, w R ref ( F 2 ) = 0.1156, T = 295 K.
Open Access
Crystal structure of 2,2′-(iminobis(methylene))bis(benzimidazolium) bis(p-toluenesulfonate), C₃₀H₃₁N₅O₆S₂

September 3, 2024

Yun-Dong Li, Lian-Ping Mei, Hui Dang, Hang Ma

Page range: 1041-1043

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C 30 H 31 N 5 O 6 S 2 , Triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.8856(3) Å, b = 10.9499(4) Å, c = 14.5715(5) Å, α = 101.939(1)°, β = 92.80(1)°, γ = 106.580(1)°, V = 1469.21(9) Å 3 , Z = 2, T = 200 K, R gt ( F ) = 0.0495, wR ref ( F 2 ) = 0.1538.
Open Access
The crystal structure of alogliptinium meta-chlorobenzoate

September 30, 2024

Yu-Heng Ma, Wen-Jing Ma, Kang Yang, Kai-Yue Zhang, Qiao Zhang, Qing Hu, Wu-Guang Shan, Yi-Hong Wang

Page range: 1045-1047

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C 18 H 22 N 5 O 2 ·C 7 H 4 ClO 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.9188(2) Å, b = 10.8391(2) Å, c = 25.9295(5) Å, V = 2506.65(9) Å 3 , Z = 4, R gt ( F ) = 0.0357, wR ref ( F 2 ) = 0.1085, T = 293(2) K.
Open Access
Crystal structure of 4-bromobenzyl 2-(6-methoxy-naphthalen-2-yl)propanoate, C₂₁H₁₉BrO₃

September 2, 2024

Xin-Ru Zhang, Da-Zhuan Lin, Li-Na Gao

Page range: 1049-1051

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C 21 H 19 BrO 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.011(2) Å, b = 11.630(2) Å, c = 25.165(5) Å, V = 1759.3(7) Å 3 , Z = 4, R gt ( F ) = 0.0163, wR ref ( F 2 ) = 0.0420, T = 100(2) K.
Open Access
The hydrated double salt structure of (E)-4-(2-benzylidenehydrazine-1-carbonyl)pyridin-1-ium cation with 2-hydroxybenzoate and benzoate anions

September 6, 2024

Itumeleng B. Setshedi, Tebogo M. L. Mokoto, Mark G. Smith

Page range: 1053-1055

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2(C 13 H 12 N 3 O) + , 2(C 7 H 4.5 O 2.5 ) − , 2(H 2 O), orthorhombic, Pbca (no. 61), a = 8.2775(5) Å, b = 12.6054(9) Å, c = 35.082(2) Å, V = 3,660.5(4) Å 3 , Z = 4, R gt ( F ) = 0.0663, wR ref ( F 2 ) = 0.1864, T = 173 K.
Open Access
Crystal structure of (R)(R)-5-chloro-3-((S,1E,3E)-3,5-dimethyl-hepta-1,3-dien-1-yl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinolin-7-yl acetate, C₂₁H₂₄ClNO₄

September 6, 2024

Shu-Feng Bi, Hong-Lei Li, Fei-Fei Li, Xiang-Yang Chen

Page range: 1057-1059

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C 21 H 24 CINO 4 , monoclinic, P 2 1 (no. 14), a = 8.6813(3) Å, b = 7.3821(2) Å, c = 16.0325(6) Å, β = 105.282(2)°, V = 991.13(6) Å 3 , Z = 2, R gt ( F ) = 0.0405, w R ref ( F 2 ) = 0.1014, T = 296.15 K.
Open Access
The crystal structure of bis(3-oxo-1,3-diphenylprop-1-en-1-olato-κ ² O:O′)-bis(1,4-dioxane-κ ¹ O)nickel(II), C₃₈H₃₈O₈Ni

September 3, 2024

Fanzhi Wei

Page range: 1061-1063

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C 38 H 38 O 8 Ni, orthorhombic, Cmc 2 1 (no. 36), a = 19.0266(4) Å, b = 8.2409(2) Å, c = 21.4315(5) Å, V = 3,360.38(13) Å 3 , Z = 4, R gt ( F ) = 0.0406, wR ref ( F 2 ) = 0.1058, T = 293 K.
Open Access
Crystal structure of poly[aqua-(pyridine-3-carboxylato-κ¹ N)(pyridine-3-carboxylato-κ² O,O′) cadmium(II)] dihydrate, C₁₂H₁₄N₂O₇Cd

October 28, 2024

Yu-Quan Feng, Shu-Yang Chen, Zi-Long Yue

Page range: 1065-1067

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C 12 H 14 N 2 O 7 Cd, monoclinic, P 2 1 / c (no. 14), a = 13.105(7) Å, b = 7.927 (4) Å, c = 15.281 (9) Å, β = 110.220(9)°, V = 1489.6(14) Å 3 , Z = 4, R gt ( F ) = 0.0246, wR ref ( F 2 ) = 0.0530, T = 293 K.
Open Access
The crystal structure of 4-(4-phenyl-5-(((1-(2,4,6-tribromophenyl)-1H-1,2,3-triazol-4-yl)methyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, C₂₂H₁₄Br₃N₇S

September 9, 2024

Haitham Al-Sa’doni, Mohamed El-Naggar, Ihsan A. Shehadi, Kamrul Hasan, Monther A. Khanfar

Page range: 1069-1072

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C 22 H 14 Br 3 N 7 S, H 2 O, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 8.9098(17) Å, b = 9.422(2) Å, c = 15.702(4) Å, α = 86.453(9)°, β = 78.382(7)°, γ = 69.477(7)°, V = 1209.1(5) Å 3 , Z = 2, R gt ( F ) = 0.0315, wR ref ( F 2 ) = 0.0802, T = 100(2) K.
Open Access
The crystal structure of N-benzylquinoline-2-carbothioamide, C₁₇H₁₄N₂S

September 6, 2024

Xiaoming Zhu, Jiaqi Ou, Na Luo, Yuxuan Deng, Yuming Nie, Jiafeng Xiang, Shixin Fang

Page range: 1073-1074

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C 17 H 14 N 2 S, Orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.9687(10) Å, b = 8.4626(14) Å, c = 28.786(5) Å, V = 1454.0(4) Å 3 , Z = 4, R gt ( F ) = 0.0315, wR ref ( F 2 ) = 0.0824, T = 296(2) K.
Open Access
Crystal structure of bis(3-isopropylphenyl)-4,4′-bipyridinium dichloride dihydrate, C₂₈H₃₀N₂⋅2Cl⋅2H₂O

October 16, 2024

Guangyi Li

Page range: 1075-1076

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C 28 H 34 Cl 2 N 2 O 2 , orthorhombic, Pbcn (no. 60), a = 30.5739(5) Å, b = 8.00310(10) Å, c = 10.5257(2) Å, V = 2575.49(7) Å 3 , Z = 4, R gt ( F ) = 0.0374, w R ref ( F 2 ) = 0.1029, T = 100.01(10) K.
Open Access
The crystal structure of ethyl 2-amino-4-(cyanophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C₁₉H₁₈N₂O₄

October 1, 2024

Zhang Li, Yu Hai-Yan

Page range: 1077-1078

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C 19 H 18 N 2 O 4 , triclinic, P 21/ n (no. 14), a = 11.930(6) Å, b = 7.638(4) Å, c = 18.370(4) Å, β = 97.959(9)°, V = 1657.9(13) Å 3 , Z = 4, R gt ( F ) = 0.0497, wR ref ( F 2 ) = 0.1437, T = 296(2) K.
Open Access
Crystal structure of (4R,10S)-6-hydroxy-7-isopropyl-4,10-dimethyl-1,2,3,5-hexahydro-6,10-epoxyazulen-9-one, C₁₅H₂₂O₃

October 1, 2024

Feng-Li Jin, Qi-Ji Li, Lang Zhou, Xiao-Sheng Yang

Page range: 1079-1080

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C 15 H 22 O 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.4754(10) Å, b = 11.1287(2) Å, c = 16.1412(3) Å, V = 1,342.81(4) Å 3 , Z = 4, R gt ( F ) = 0.0344, wR ref ( F 2 ) = 0.0921, T = 99.98(11) K.
Open Access
The crystal structure of (E)-(2-(2-hydroxy-3-methoxybenzylidene)aminophenyl)arsonic acid, C₁₄H₁₄AsNO₅

September 6, 2024

Bin Cai, Jia-Bo Ke, Cen-Cen Wu, Yi-Bo An, Yu Qiao, Shuo Li

Page range: 1081-1083

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C 14 H 14 AsNO 5 , monoclinic, P 2 1 (no. 4), a = 8.5830(5) Å, b = 7.0799(5) Å, c = 11.6011(7) Å, β = 100.059(2) ∘ , V = 694.13(8) Å 3 , Z = 2, R gt ( F ) = 0.0288, w R ref ( F 2 ) = 0.0603, T = 150.0 K.
Open Access
The crystal structure of poly[(μ ₂-2-aminoisophthalato-κ⁴O,O′:O″:O″′)-(N-methylpyrrolidone κ¹O)-dioxido-uranium(VI)], C₁₃H₁₄N₂O₇U

October 23, 2024

Yuning Meng, Ruan-Xiang Liu, Han Bao, Ru-Yu Jin, Shi-He Song, Gui-Jiao Feng

Page range: 1085-1087

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C 13 H 14 N 2 O 7 U, monoclinic, P 2 1 / n (no. 14), a = 8.6855(14) Å, b = 11.982(2) Å, c = 14.953(2) Å, β = 94.557(5)°, V = 1,551.3(4) Å 3 , Z = 4, R gt ( F ) = 0.0559, wR ref ( F 2 ) = 0.1081, T = 150(2) K
Open Access
The crystal structure of the co-crystal isonicotinamide · terephthalic acid, C₈H₆O₄·2(C₆H₆N₂O)

October 1, 2024

Jeraldine Maire Bourletidis How, Matthew C. Scheepers, Andreas Lemmerer, Mark G. Smith

Page range: 1089-1090

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C 8 H 6 O 4 ·2(C 6 H 6 N 2 O), monoclinic, C 2/ c (no. 15), a = 20.8371(8) Å, b = 5.2243(2) Å, c = 19.1062(7) Å, β = 118.8350(10)°, V = 1822.01(12) Å 3 , Z = 4, R gt ( F ) = 0.0392, w R ref ( F 2 ) = 0.1143, T = 173 K.
Open Access
The crystal structure of (E)-1-phenyl-3-(p-tolylthio)but-2-en-1-one, C₁₇H₁₆OS

October 1, 2024

Jinpeng Tang, Cheng Wang, Xiang Long, Xiongwei Wu, Xiaoming Zhu, Fuxing Zhang

Page range: 1091-1092

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C 17 H 16 OS, monoclinic, P 2 1 / n (no. 14), a = 5.4605(12) Å, b = 19.767(4) Å, c = 13.357(4) Å, β = 92.834(3)°, V = 1,439.9(6) Å 3 , Z = 4, R gt ( F ) = 0.0398, w R ref ( F 2 ) = 0.1144, T = 296(2) K.
Open Access
The crystal structure of 4,5-bis((Z)-chloro(hydroxyimino)methyl)-1H-imidazol-3-ium chloride monohydrate

October 23, 2024

Yunlu Li, Rui Zhou, Bo Wang, Shengping Fan

Page range: 1093-1095

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C 5 H 7 Cl 3 N 4 O 3 , monoclinic, P 2 1 / c (no. 14), a = 5.745(3) Å, b = 29.120(13) Å, c = 6.813(3) Å, β = 107.649(6)°, V = 1086.1(9) Å 3 , Z = 4, R gt ( F ) = 0.0411, w R ref ( F 2 ) = 0.1163, T = 296 K.
Open Access
The crystal structure of 1,2-bis(4-(dimethylamino)phenyl)ethane-1,2-dione. C₁₈H₂₀N₂O₂

October 1, 2024

Du Yuchang, He Jiarui, Li Yan, Zeng Guimei, Liu Wenhua

Page range: 1097-1099

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C 18 H 20 N 2 O 2 , triclinic, P 1̄ (no. 2), a = 9.9301(5) Å, b = 10.6446(5) Å, c = 15.2690(8) Å, α = 77.743(2)°, β = 87.460(2)°, γ = 89.139(2)°, V = 1575.60(14) Å 3 , Z = 4, R gt ( F ) = 0.0465, wR ref ( F 2 ) = 0.1188, T = 150 K.
Open Access
Crystal structure of 2-chloro-4-fluorobenzyl 2-acetoxybenzoate, C₁₆H₁₂ClFO₄

October 16, 2024

Guohua Chen, Lili Zi, Xi Lu, Chongxian Zhu

Page range: 1101-1103

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C 16 H 12 ClFO 4 , monoclinic, C 2/ c (no. 15), a = 25.653(8) Å, b = 8.368(3) Å, c = 13.809(6) Å, β = 104.342(15)°, V = 2871.9(9) Å 3 , Z = 8, R gt ( F ) = 0.0287, wR ref ( F 2 ) = 0.0713, T = 218(2) K.
Open Access
Crystal structure of methyl 1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate, C₁₉H₁₄N₂O₂

September 30, 2024

Hangzhou Tian, Geyu Chen, Sen Chen, Wenqiang Tang, Bin Liu

Page range: 1105-1107

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C 19 H 14 N 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 11.3111(5) Å, b = 7.2906(3) Å, c = 18.0875(10) Å, β = 102.935(2)° V = 1,453.73(12) Å 3 , Z = 4, R gt ( F ) = 0.0545, wR ref ( F 2 ) = 0.1389, T = 150 K.
Open Access
Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl)(5-fluoro-2-iodophenyl)methanone, C₁₉H₁₇FINO₄

October 1, 2024

Jia-Cheng Yuan, Yue Zhang, Yan Zhou, Chen-Chen Tang, Wei Cong

Page range: 1109-1111

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C 19 H 17 FINO 4 , triclinic, P 1̄ (no. 2), a = 7.1158(2) Å, b = 11.1914(3) Å, c = 12.4974(3) Å, α = 73.015(2)°, β = 87.945(2)°, γ = 78.137(2)°, V = 931.19(4) Å 3 , Z = 2, R gt ( F ) = 0.0563, wR ref ( F 2 ) = 0.1639, T = 293(2) K.
Open Access
Crystal structure of tetrachlorido-bis(1-[(1H-triazole-1-yl)methyl]-1H-benzotriazole-κ² N:N′)dicopper, C₃₆H₃₂Cu₂N₂₄Cl₄

October 21, 2024

Tongyu Bai, Hanbing Li, Mengmeng Cao, Xia Wang

Page range: 1113-1115

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C 36 H 32 Cu 2 N 24 Cl 4 , monoclinic, P 2 1 / c (no. 14), a = 17.6099(4) Å, b = 8.13871(18) Å, c = 14.8084(3) Å, β = 91.6878(19)°, Z = 2, V = 2,121.45(8) Å 3 , R gt ( F ) = 0.0549, w R ref ( F 2 ) = 0.1597, T = 293(2) K.
Open Access
Crystal structure of 2-(2,3-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)anilin, C₃₀H₂₄N₄O₂

October 1, 2024

Hangzhou Tian, Geyu Chen, Jiejie Ma, Hongjuan Tong, Bin Liu

Page range: 1117-1119

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C 30 H 24 N 4 O 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.7813(5) Å, b = 12.2074(7) Å, c = 12.7561(7) Å, α = 112.071(2)°, β = 106.856(2)°, γ = 92.265(2)°, V = 1,195.65(12) Å 3 , Z = 2, R gt ( F ) = 0.0586, w R ref ( F 2 ) = 0.1534, T = 170 K.
Open Access
Crystal structure of 5,7-dihydroxy-2-phenyl-4H-chromen-4-one–N,N-dimethylformamide(1/1), C₁₈H₁₇NO₅

October 10, 2024

Ayesha Jacobs, Marie-Louise Tangouna Liambo Bissa

Page range: 1121-1123

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C 18 H 17 NO 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.6793(9) Å, b = 18.118(4) Å, c = 18.380(4) Å, V = 1,558.2(5) Å 3 , Z = 4, R gt ( F ) = 0.0448, w R ref ( F 2 ) = 0.1246, T = 173(2) K.
Open Access
The crystal structure of bis(μ ₂-biphenyl-2,2′-dicarboxylato)-diaqua-bis(nitrato)-bis(2,2′:6′,2′′-terpyridine)dineodymium(III), C₄₆H₃₂I₂N₈Nd₂O₁₆

October 25, 2024

Guang Huang, Jianhui Liu, Xinyu Chen

Page range: 1125-1127

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C 46 H 32 I 2 N 8 Nd 2 O 16 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.6591(17) Å, b = 11.655(2) Å, c = 12.711(3) Å, α = 81.55(3)°, β = 86.62(3)°, γ = 68.50(3)°, V = 1180.5(5) Å 3 , Z = 1, R gt ( F ) = 0.0298, wR ref ( F 2 ) = 0.1211, T = 293(2) K.
Open Access
Crystal structure of (Z)-4-amino-N ^′-((4-chlorophenyl)(phenyl)methylene)benzohydrazide, C₂₀H₁₆ClN₃O

October 9, 2024

Yanli Song, Mo Du, Zhoujing Zhu, Wenqiang Tang, Hongjuan Tong

Page range: 1129-1131

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C 20 H 16 ClN 3 O, monoclinic, I 2/ a (no. 15), a = 16.3816(6) Å, b = 15.3173(5) Å, c = 27.7833(14) Å, β = 92.800(2)°, V = 6,963.1(5) Å 3 , Z = 8, R gt ( F ) = 0.0375, w R ref ( F 2 ) = 0.1061, T = 299 K.
Open Access
Crystal structure of (E)-6,8-dimethoxy-4-(4-morpholinobenzylidene)-3,4-dihydro-1-benzoxepin-5(2H)-one, C₂₃H₂₅NO₅

October 2, 2024

De-Li Xia, Ji-Peng Wang, Wen-Xiao Yu, Mei-Dan Wang, Hao-Xue Gao, Yao-Tian Cui, Gui-Ge Hou

Page range: 1133-1136

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C 23 H 25 NO 5 , monoclinic, Cc (no. 9), a = 21.2548(2) Å, b = 20.4713(1) Å, c = 16.7944(1) Å, β = 126.267(1)°, V = 5,891.79(10) Å 3 , Z = 12, R gt ( F ) = 0.0240, wR ref ( F 2 ) = 0.0649, T = 293 K.
Open Access
Crystal structure of (R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl) methyl)-4-fluorobenzonitrile benzoate monohydrate, C₂₄H₂₇FN₆O₄

October 16, 2024

Xu Wen-Jie, Li Song, Li Qin-Ze

Page range: 1137-1140

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C 24 H 27 FN 6 O 4 , monoclinic, C 2 (no. 5), a = 19.7270(4) Å, b = 6.4057(2) Å, c = 36.3058(8) Å, β = 94.602(2)°, V = 4573.0(2) Å 3 , Z = 8, R gt ( F ) = 0.0625, wR ref ( F 2 ) = 0.1565, T = 100 K.
Open Access
The crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylato-κ ³ N,O,O)copper(II)]monohydrate, C₁₂H₁₅NO₉Cu

October 22, 2024

Tai Xi-Shi, Yan Xi-Hai, Zhao Bo, Fan Peng-Cheng

Page range: 1141-1143

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C 12 H 15 NO 9 Cu, triclinic, P 1̄ (no. 2), a = 7.3596(3) Å, b = 8.1735(2) Å, c = 12.0982(4) Å, α = 85.754(3)°, β = 80.318(3)°, γ = 84.852(2)°, V = 702.61(5) Å 3 , Z = 2, R gt ( F ) = 0.0494, wR ref ( F 2 ) = 0.1463, T = 298 K.
Open Access
Crystal structure of (((4-chlorophenyl)sulfonyl)glycinato-κ ² N,O)bis(1,10-phenanthroline-κ ² N,N′)cobalt(II) tetrahydrate, C₃₂H₃₀ClCoN₅O₈S

October 23, 2024

Zheng-Jun Liu, Xiao-Miao Chen, Qiang Wu, Wu-Chao Zhou, Xu-Min Jiao, Juan Tan

Page range: 1145-1148

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C 32 H 30 ClCoN 5 O 8 S, monoclinic, P 2 1 / c (no. 14), a = 14.5008(9) Å, b = 13.6648(9) Å, c = 17.9741(12) Å, β = 113.086(2)°, V = 3276.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0620, wR ref ( F 2 ) = 0.1696, T = 293(2) K.
Open Access
Crystal structure of (((3-nitrophenyl)sulfonyl)-β-alaninato-κO)bis(2,2′-bipyridine-κ ² N, N′)copper(II) 3-nitrobenzenesulfonate, C₃₅H₂₉CuN₇O₁₁S₂

October 23, 2024

Zheng-Jun Liu, Xiao-Miao Chen, Qiang Wu, Wu-Chao Zhou, Xu-Min Jiao, Juan Tan

Page range: 1149-1151

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C 35 H 29 CuN 7 O 11 S 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 12.2643(9) Å, b = 13.3486(9) Å, c = 13.5247(11) Å, α = 69.595(7)°, β = 71.363(7)°, γ = 67.275(7)°, V = 1869.8(3) Å 3 , Z = 2, R gt ( F ) = 0.0570, w R ref ( F 2 ) = 0.1781, T = 293(2) K.
Open Access
Crystal structure of 3-phenoxybenzyl 2-(6-methoxynaphthalen-2-yl)propanoate, C₂₇H₂₄O₄

October 9, 2024

Ying Lin, Da-zhuan Lin, De-dong Xue, Quan-le Sun

Page range: 1153-1155

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C 27 H 24 O 4 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.694(2) Å, b = 8.957(2) Å, c = 40.662(8) Å, V = 2073.7(10) Å 3 , Z = 4, R gt ( F ) = 0.0339, wR ref ( F 2 ) = 0.0837, T = 100(2) K
Open Access
6-(2′,3′-Dihydroxy-3′-methylbutyl)-7-methoxy-8-(3″-methylbut-2″-en-1″-yl)-2H-chromen-2-one, C₂₀H₂₆O₅

October 16, 2024

Yin-Ju Zhang, Qi-ji Li, Fa-ju Chen, Xiong Pan, Lang Zhou, Xiao-Sheng Yang

Page range: 1157-1159

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C 20 H 26 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.2825(10) Å, b = 13.0652(2) Å, c = 26.4176(4) Å, V = 1823.26(5) Å 3 , Z = 4, R gt ( F ) = 0.0338, wR ref ( F 2 ) = 0.0821, T = 150 K. CCDC No.: 2377464.
Open Access
Crystal structure of bromido-(2,2′:6′,2″-terpyridine-4′-onato-κ³N)palladium(II) methanol solvate

October 16, 2024

Dong-E Wang, Li-Feng Zhao

Page range: 1161-1163

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C 16 H 14 BrN 3 O 2 Pd, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.5162(5) Å, b = 12.5437(9) Å, c = 17.7525(12) Å, α = 73.149(2)°, β = 82.186(2)°, γ = 73.616(2)°, V = 1534.13(18) Å 3 , Z = 4, T = 100(2) K, R gt ( F ) = 0.0208, wR ref ( F 2 ) = 0.0573.
Open Access
The crystal structure of ethyl 2-amino-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C₂₀H₂₂N₂O₆

October 16, 2024

Hanbing Song, Hao Li

Page range: 1165-1167

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C 20 H 22 N 2 O 6 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.9101(16) Å, b = 10.619(3) Å, c = 16.466(4) Å, α = 74.619(5)°, β = 82.490(5)°, γ = 82.617(5) %, V = 983.1(5) Å 3 , Z = 2, R gt ( F ) = 0.0522, wR ref ( F 2 ) = 0.1536, T = 296(2) K.
Open Access
Crystal structure of (1E,3E,5E)-1,6-bis(4-(pentyloxy)phenyl)hexa-1,3,5-triene, C₂₈H₃₆O₂

October 16, 2024

Li Shen, Yu-Pei Xia, QingGuo Meng

Page range: 1169-1171

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C 28 H 36 O 2 , monoclinic, P 2 1 / c (no. 14), a = 25.4751(13) Å, b = 7.4053(3) Å, c = 6.3520(3) Å, β = 93.923(5)°, V = 1,195.5(1) Å 3 , Z = 2, R gt ( F ) = 0.0650, wR ref ( F 2 ) = 0.2007, T = 298 K.
Open Access
The crystal structure of tris(2-bromo-4-methylphenyl)amine, C₂₁H₁₈Br₃N

October 16, 2024

Bingcui Yang, Xiaofang Jing, Yuanxiao Meng, Liangli Zhong, Hao Cui

Page range: 1173-1175

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C 21 H 18 Br 3 N, monoclinic, P 2 1 / c (no. 14), a = 17.0082(5) Å, b = 7.70818(16) Å, c = 15.8792(5) Å, β = 105.108 ( 3 ) ° $105.108(3){}^{\circ}$ , V = 2009.83(10) Å 3 , Z = 4, R gt ( F ) = 0.0594, wR ref ( F 2 ) = 0.1687, T = 100 K.
Open Access
The crystal structure of 3-(2,5-dimethylanilino)-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrrole-2,5-dione, C₂₁H₂₂N₂O₂

October 16, 2024

Ramakwala Christinah Chokwe, Mark G. Smith

Page range: 1177-1178

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C 21 H 22 N 2 O 2 , monoclinic, C 2/ c (no. 15), a = 15.4261(9) Å, b = 10.0885(6) Å, c = 23.9311(13) Å, β = 106.875(2)°, V = 3563.9(4) Å 3 , Z = 8, R gt ( F ) = 0.0457, wR ref ( F 2 ) = 0.1196, T = 173 K.
Open Access
Crystal structure of dicarbonyl (μ₂-indole-2-carboxylato κ² O:O′)tris(triphenylarsine-κAs)dirhodium(I) acetone solvate, C₆₈H₅₆As₃NO₅Rh₂

October 25, 2024

Mohammed A. Elmakki, Orbett T. Alexander, Johan A. Venter, Andreas Roodt

Page range: 1179-1182

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C 68 H 56 As 3 NO 5 Rh 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 14.048(4) Å, b = 14.569(4) Å, c = 17.942(5) Å, α = 92.273(9)°, β = 112.728(9)°, γ = 115.910(9)°, V = 2948.7(13) Å 3 , Z = 2, R gt ( F ) = 0.0378, wR ref ( F 2 ) = 0.0990, T = 100 K.
Open Access
The crystal structure of 4-chloro-2-formylphenyl 4-methylbenzenesulfonate, C₁₄H₁₁ClO₄S

October 24, 2024

Tao Liu, Yang-Gang Li, Zhong-Yan Li, Lin Yuan

Page range: 1183-1184

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C 14 H 11 ClO 4 S, monoclinic, P 2 1 / c (no. 14), a = 8.2472(13) Å, b = 22.431(4) Å, c = 7.9308(13) Å, β = 106.278(2) ∘ , V = 1,408.3(4) Å 3 , Z = 4, R gt ( F ) = 0.0363, wR ref ( F 2 ) = 0.0996, T = 296(2) K.
Open Access
Crystal structure of 4-iodobenzyl 2-(6-methoxynaphthalen-2-yl) propanoate, C₂₁H₁₉IO₃

October 22, 2024

Rui Wang, Yijia Yuan, Le Chen, Wei Sun

Page range: 1185-1186

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C 21 H 19 IO 3 , monoclinic, P 2 1 (no. 4), a = 11.8252 (4) Å, b = 5.4966 (2) Å, c = 14.9468 (5) Å, β = 106.888 (1) ∘ , V = 929.62 (6) Å 3 , Z = 2, R gt ( F ) = 0.0134, wR ref ( F 2 ) = 0.0319, T = 100 (2) K.

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