Zeitschrift für Kristallographie - New Crystal Structures

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Volume 240, Issue 6

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Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

November 7, 2025

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New Crystal Structures
Open Access
The crystal structure of (1Z, 2Z)-3-phenyl-2-propenal 2-(4-bromo-2-fluorophenyl)hydrazone, C₁₅H₁₂BrFN₂

October 23, 2025

Shanshan Yang, Zhuyun Liu, Yunying Sha, Weiting Yan, Weilu Guo, Lei Wang, Lizhong Wang, Pengfei Ding

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C 15 H 12 BrFN 2 , monoclinic, P 2 1 / c (no. 14), a = 9.9691(3) Å, b = 23.3493(6) Å, c = 12.1273(4) Å, β = 102.534(3)°, V = 2755.61(15) Å 3 , Z = 8, R gt ( F ) = 0.0387, w R ref ( F 2 ) = 0.1145, T = 293(2) K.
Open Access
Refinement of crystal structure of 2-(2,3-dihydro-3-oxo-1 H -inden-1-ylidene)-1 H -indene-1,3(2 H )-dione C₁₈H₁₀O₃

October 3, 2025

Xiaozhuan Qin, Yuling Li, Lin Zhang, Xinya Shan, Aochen Fu, Zihao Li

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C 18 H 10 O 3 , monoclinic, P 2 1 / n (no. 14), a = 9.9981(2) Å, b = 9.3873(2) Å, c = 13.7621(3) Å, β = 102.841(2)°, V = 1,259.34(5) Å 3 , Z = 4, R gt ( F ) = 0.0463, wR ref ( F 2 ) = 0.1235, T = 293 K.
Open Access
The crystal structure of 3-(1-fluoro-2-(naphthalen-2-yl)-2-oxoethyl)-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one, C₂₂H₁₈FNO₃

September 2, 2025

Jiang-Bin Huang, Zhao Yin, Hai-Ping Wang, Jia-Qiang Wu

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C 22 H 18 FNO 3 , monoclinic, P 2 1 / n , (no. 14), a = 11.0201(3) Å, b = 7.3436(2) Å, c = 21.6386(6) Å, β = 94.376(2) ∘ , V = 1746.05(8) Å 3 , Z = 4, R gt ( F ) = 0.0391, wR ref ( F 2 ) = 0.1090, T = 213 K.
Open Access
Crystal structure of the dinuclear copper(II) complex bis(μ₂-2,2′ -{[1,3-phenylenebis-(methylene)]bis(oxy)}dibenzoaot-κ⁴O,O′:O′′,O′′′)-bis(dimethylformamide-κ¹O)dicopper(II), C₅₀H₄₄Cu₂N₂O₁₄

October 23, 2025

Hong-Mei Li

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C 50 H 44 Cu 2 N 2 O 14 , monoclinic, P 2 1 / c (no. 14), a = 12.186(2) Å, b = 19.289(2) Å, c = 10.777(1) Å, β = 79.02(2)°, V = 2355.5(5) Å 3 , Z = 2, R gt ( F ) = 0.0476, wR ref ( F 2 ) = 0.1597, T = 273 (2) K. CCDC No. = 2446404.
Open Access
Crystal structure of poly[triaqua-(μ₉-biphenyl-3,3′,5,5′-tetracarboxylic-κ⁸ O,O:O,O′: O,O″:O,O‴)samarium(III)sodium(I)], C₁₆H₁₂NaSmO₁₁

September 8, 2025

Xufeng Yang, Xiaoli Sun

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C 16 H 12 NaSmO 11 , monoclinic, P 2 1 / c (no. 14), a = 6.9833(14) Å, b = 17.482(3) Å, c = 14.875(4) Å, β = 112.23(3) ∘ , V = 1681.0(7) Å 3 , Z = 4, R gt ( F ) = 0.0343, w R ref ( F 2 ) = 0.0759, T = 293(2) K.
Open Access
The crystal structure of 5-benzyl-1-(4-fluorobenzyl)-4-((4-fluorobenzyl)oxy)-1,5-dihydro-2H-pyrrol-2-one, C₂₅H₂₁F₂NO₂

September 3, 2025

Xin-Yan Shao, Pan-Pan Wu, Ming Lang, Dong-Li Li

Page range: 829-830

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C 25 H 21 F 2 NO 2 , triclinic, P 1 ‾ $\overline{1}$ , a = 8.2272(14) Å, b = 11.2369(12) Å, c = 13.0669(16) Å, α = 108.033(11)°, β = 107.656(13)°, γ = 100.256(12)°, V = 1044.1(3) Å 3 , Z = 2, R gt ( F ) = 0.0625, wR ref ( F 2 ) = 0.1820, T = 213 K.
Open Access
The crystal structure of diammonium 2,5-dihydroxyterephthalate, C₈H₁₂N₂O₆

September 17, 2025

Zhenxiu Si, Yanyu Lv, Yingying Xu, Lingyun Jiang

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C 8 H 12 N 2 O 6 , monoclinic, P 2 1 / n (no. 14), a = 3.8391(8) Å, b = 8.8332(18) Å, c = 14.487(3) Å, β = 95.62(3)°, V = 488.92(18) Å 3 , Z = 2, R gt ( F ) = 0.0327, wR ref ( F 2 ) = 0.0949, T = 293 K.
Open Access
Crystal structure of (E)-4-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C₂₁H₁₉N₃O₄

September 16, 2025

Hui Pan, De-Li Xia, Gui-Ge Hou

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C 21 H 19 N 3 O 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.1708(3) Å, b = 9.1832(4) Å, c = 14.0711(6) Å, α = 80.297(4)°, β = 88.910(3)°, γ = 69.639(4)°, V = 855.49(7) Å 3 , Z = 2, R gt ( F ) = 0.0372, wR ref ( F 2 ) = 0.0975, T = 100 K.
Open Access
Crystal structure of poly[oktakis(μ₂-oxido-κ²O:O)-tetrakis(oxido-κ¹O)-bis(μ₂-1,1′-[1,4-phenylenebis(methylene)]di(1H-imidazole-κ²N:N′))-tetravanadium(V)-dizinc(II)] monohydrate, C₂₈H₃₀Zn₂N₈O₁₃V₄

September 16, 2025

Long-Chen Xie, Yu-Qing Wang, Xiao-Jie Gong, Bao-Kuan Chen

Page range: 837-839

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C 28 H 30 Zn 2 N 8 O 13 V 4 , monoclinic, P 2 1 / n (no. 14), a = 15.7458(8) Å, b = 12.3628(7) Å, c = 19.5668(10) Å, β = 102.0143(19) ∘ , V = 3725.5(3) Å 3 , Z = 4, R gt ( F ) = 0.0267, wR ref ( F 2 ) = 0.0709, T = 100 K.
Open Access
Crystal structure of acotiamide hydrochloride dimethylacetamide solvate (1/1), C₂₅H₄₀ClN₅O₆S

September 3, 2025

Yaqin Shan, Shuqiu Zhang, Guoshun Zhang

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C 25 H 40 ClN 5 O 6 S, triclinic, P 1 ‾ (no. 2), a = 7.9989(5) Å, b = 11.6765(8) Å, c = 16.2656(12) Å, α = 98.519(2)°, β = 96.748(2)°, γ = 99.796(2)°, V = 1446.57(17) Å 3 , Z = 2, R gt ( F ) = 0.0556, wR ref ( F 2 ) = 0.1537, T = 296(2) K.
Open Access
Crystal structure of catena-poly[monoaqua (u²-(3-(3,5-dicarboxyphenyl)pyridine-2,6-dicarboxylic-k⁴O:O′:O″:N)zinc(II))] monohydrate, C₁₅H₁₁NO₁₀Zn

September 3, 2025

Yuan Gao, Shi Xie

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C 15 H 11 NO 10 Zn, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.566(3) Å, b = 8.326(4) Å, c = 24.734(11) Å, V = 1558.0(12) Å 3 , Z = 4, R gt ( F ) = 0.0311, w R ref ( F 2 ) = 0.0810, T = 293 K.
Open Access
Crystal structure of dichlorido{2,6-bis(3,5-diisopropyl-N-pyrazolyl)pyridine}zinc(II), C₂₃H₃₃Cl₂N₅Zn

September 3, 2025

Kiyoshi Fujisawa, Yurika Minakawa, Edward R.T. Tiekink

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C 23 H 33 Cl 2 N 5 Zn, monoclinic, Pca 2 1 (no. 29), a = 15.9299(3) Å, b = 12.8205(2) Å, c = 12.7157(2) Å, V = 2596.92(8) Å 3 , Z = 4, R gt ( F ) = 0.0169, w R ref ( F 2 ) = 0.0459, T = 178 K.
Open Access
Crystal structure of nitrato-κ²O,O′-[hydridotris(3,5-diethylpyrazol-1-yl)borato-κ³N,N′,N″]copper(II), C₂₁H₃₄BCuN₇O₃

September 4, 2025

Kiyoshi Fujisawa, Shuhei Sakuma, Edward R. T. Tiekink

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C 21 H 34 BCuN 7 O 3 , monoclinic, P 2 1 / c (no. 14), a = 8.6529(2) Å, b = 13.8775(4) Å, c = 20.3673(6) Å, β = 96.077(3)°, V = 2431.97(12) Å 3 , Z = 4, R gt ( F ) = 0.0377, wR ref ( F 2 ) = 0.1012, T = 178 K.
Open Access
Crystal structure of 2,7-bis(3,5-diethyl-1H-pyrazol-4-yl)-benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, C₂₈H₂₆N₆O₄

September 16, 2025

Kiyoshi Fujisawa, Shuto Sugihara, Kako Iwai, Keigo Amimoto, Edward R. T. Tiekink

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C 28 H 26 N 6 O 4 , trigonal, R 3 ‾ $R\overline{3}$ (no. 148), a = 20.3056(12) Å, c = 16.3655(10) Å, V = 5843.7(8) Å 3 , Z = 9, R gt ( F ) = 0.0511, wR ref ( F 2 ) = 0.1523, T = 178 K.
Open Access
Crystal structure of 2-(4-chlorophenyl)benzothiazole, C₁₃H₈ClNS

September 19, 2025

Jia-Qi Hu, Peng-Yu Cui, Yu Ban, Yi Ding, Xiangyu Chen, Jie Luo, Feng-Min Wu

Page range: 857-858

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C 13 H 8 ClNS, monoclinic, P 21/c (no. 14), a = 11.0497(5) Å, b = 14.1040(6) Å, c = 7.1466(3) Å, β = 98.556(4)°, V = 1101.37(8) Å 3 , Z = 4, R gt ( F ) = 0.0298, wR ref ( F 2 ) = 0.0815, T = 150 K.
Open Access
Synthesis and crystal structure (3R,4′S)-4′-(3,5-dibromophenyl)-1′-methyl-2H-dispiro [benzofuran-3,3′-pyrrolidine-2′,2″-indene]-1″,2,3″-trione, C₂₆H₁₇Br₂NO₄

October 23, 2025

Yi-Hui Chai, Zhi-Ling Fan, Zhang-Chao Dong, Yang Shi, Li-Juan Liu, Bo-Wen Pan, Fang-Fang Yang

Page range: 859-860

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C 26 H 17 Br 2 NO 4 , triclinic, P 1¯ (no. 2), a = 8.3900(2) Å, b = 11.9445(2) Å, c = 12.4155(2) Å, α = 74.4620(10)°, β = 81.802(2)°, γ = 70.601(2)°, V = 1128.72(4) Å 3 , Z = 2, R gt ( F ) = 0.0449, wR ref ( F 2 ) = 0.1228, T = 249(1) K.
Open Access
Crystal structure of bis(((3a,7a-dihydro-1H-benzo[d][1,2,3]triazol-1-yl)methyl) triphenylphosphonium) tetrachloridomanganate(II), C₅₀H₄₂Cl₄MnN₆P₂

September 16, 2025

Chanchan Liu, Dandan Cui, Jingyin Yu, Mengjia Yang, Wenqiang Tang

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C 50 H 42 Cl 4 MnN 6 P 2 , monoclinic, C 2/ c (no. 15), a = 26.2608(7) Å, b = 9.7828(2) Å, c = 18.5648(5) Å, β = 94.103(2)°, V = 4757(2) Å 3 , Z = 4, R gt ( F ) = 0.0479 wR ref ( F 2 ) = 0.1046, T = 293 K.
Open Access
The crystal structure of 4,9-bis(4-chlorophenyl)-1,6-bis(2-cyanobenzyl)-2,4a,5,6,7,7a-hexahydro-1H-2,7,5-(epiprop[2]ene[1,1,3]triyl)pyrrolo[3,4-b]pyridine-3,10-dicarbonitrile, C₄₀H₂₆Cl₂N₆

October 23, 2025

Ruotong Li

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C 40 H 26 Cl 2 N 6 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.6327(10) Å, b = 11.4675(10) Å, c = 15.4576(15) Å, α = 88.213(4)°, β = 80.719(4)°, γ = 79.438(4)°, V = 1,656.6(3) Å 3 , Z = 2, R gt ( F ) = 0.0759, w R ref ( F 2 ) = 0.2355, T = 297 K.
Open Access
The crystal structure of poly((μ₂-3-(3-nitro-4-carboxylphenyl)benzoate-κ³O, O′:O″)-μ₂-1,4-bis(1-imidazolyl)benzene-κ²N:N′-cadmium(II)), C₂₆H₁₇N₅O₆Cd

October 7, 2025

Qian Mao, Yanfei Wang, Bihuan Huang, Xiaoli Wang, Airong Wang

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C 26 H 17 N 5 O 6 Cd, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.9027(7) Å, b = 11.2670(5) Å, c = 11.6794(6) Å, α = 77.630(4)°, β = 87.620(5)°, γ = 87.138(5)°, V = 1142.33(12) Å 3 , Z = 2, R gt ( F ) = 0.0335, wR ref ( F 2 ) = 0.0753, T = 298 K.
Open Access
The crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione monohydrate, C₇H₆N₂O₄

September 23, 2025

Feng Xu, Hui Yu, Shilin Zheng

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C 7 H 6 N 2 O 4 , monoclinic, P 2 1 / c (no. 14), a = 8.1416(3) Å, b = 10.2220(3) Å, c = 9.2212(3) Å, β = 91.7600(10)°, V = 767.06(4) Å 3 , Z = 15, R gt ( F ) = 0.1022, wR ref ( F 2 ) = 0.1077, T = 296.15 K.
Open Access
Crystal structure of 4-((cyclohexylsulfonyl)methyl)-1,2,3,4-tetrahydrobenzo [4,5]imidazo[1,2-a]pyridine, C₁₈H₂₄N₂O₂S

September 17, 2025

Jiajie Li, Yuanyuan Wang, Sihong Sang, Liyan Zhang

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C 18 H 24 N 2 O 2 S, monoclinic, P 2 1 / c (no. 14), a = 27.3975(7) Å, b = 6.16564(14) Å, c = 9.9182(2) Å, β = 99.202(2)°, V = 1653.86(7) Å 3 , Z = 4, R gt ( F ) = 0.0586, wR ref ( F 2 ) = 0.1544, T = 100(1) K.
Open Access
Crystal structure of 4,7-diphenyl-1,10-phenanthroline-κ²N,N′)-bis(2,4-di(fluorine)-1-phenylpyridine-κ²C,N)-iridium(III) hexafluorophosphate–dichloromethane (1/1), C₄₇H₃₀Cl₂F₁₀IrN₄P

September 16, 2025

Jun Qian, Yida Wang, Xueyi Cao

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C 47 H 30 Cl 2 F 10 IrN 4 P, monoclinic, P 2 1 / n (no. 14), a = 14.4048(8) Å, b = 19.8150(10) Å, c = 15.5151(8) Å, β = 106.018(2)°, V = 4256.6(4) Å 3 , Z = 4, R gt ( F ) = 0.0451, wR ref ( F 2 ) = 0.0921, T = 150(2) K.
Open Access
Crystal structure of (4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid, C₁₉H₁₅BN₂O₂

September 16, 2025

Bingyu Xu, Quanxiang Han, Yurong Guo, Zhao Wang, Jiajia Ye, Xiaoxin Zheng

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C 19 H 15 BN 2 O 2 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 6.0499(1) Å, b = 10.9750(3) Å, c = 12.6029(3) Å, α = 70.964(2)°, β = 87.736(2)°, γ = 79.962(2)°, V = 778.80(3) Å 3 , Z = 2, R gt ( F ) = 0.0466, w R ref ( F 2 ) = 0.1367, T = 293(2) K.
Open Access
The crystal structure of (E)-(2-((pyridin-2-ylmethylene)amino)phenyl)arsonic acid, C₁₂H₁₁AsN₂O₃

September 16, 2025

Ji-De Zhu, Ting-Ting Zhang, Hong-Qing Lin, Jia-Wei Zhang, Yuning Meng, Bin Cai

Page range: 881-883

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C 12 H 11 AsN 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 10.1258(10) Å, b = 6.3254(5) Å, c = 19.1102(16) Å, β = 97.578(3)°, V = 1213.31(18) Å 3 , Z = 4, R gt ( F ) = 0.0409, wR ref ( F 2 ) = 0.1027, T = 150.0 K.
Open Access
The crystal structure of N(benzyl(phenyl)carbomothioyl)benzamide, C₂₁H₁₈N₂OS

October 23, 2025

Luleka Makhakhayi, Frederick P. Malan, Comfort M. Nkambule, Vuyelwa J. Tembu, Amanda-Lee E. Manicum

Page range: 885-886

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C 21 H 18 N 2 OS, monoclinic, P 2 1 / c , a = 8.4888(2) Å, b = 10.2133(3) Å, c = 19.9581(6) Å, β = 97.015(2)°, V = 1717.39(8) Å 3 , Z = 4, T = 150(2) K, R gt ( F ) = 0.0361, wR ref ( F 2 ) = 0.0913.
Open Access
The crystal structure of bis(2-picolinium) hexachlorostannate dichloromethane monosolvate, C₁₃H₁₈Cl₈N₂Sn

September 17, 2025

Dharmveer Bhedi, Aarti Saini, Rashmi Ranjan Sahoo, Ramalingam Thirumoorthi

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C 12 H 16 Cl 6 N 2 Sn·CH 2 Cl 2 , monoclinic, P 2/ n (no. 13), a = 9.2218(10) Å, b = 9.9617(10) Å, c = 12.3674(13) Å, β = 107.243(3)°, V = 1085.1(2) Å 3 , Z = 2, R gt ( F ) = 0.0295, wR ref ( F 2 ) = 0.0548, T = 100(2) K.
Open Access
Crystal structure of poly[tetraaqua-bis(μ₄-3–1-(carboxylatomethyl)-1H-1,2,4-triazole-3-carboxylato)-κ⁴O:O′,O″,N)zinc(II)], C₅H₇N₃O₆Zn

September 17, 2025

Fan Fan

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C 5 H 7 N 3 O 6 Zn, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 4.7459(12) Å, b = 6.7043(17) Å, c = 13.648(3) Å, α = 98.303(4)°, β = 98.134(4)°, γ = 103.303(3)°, V = 411.22(18) Å 3 , Z = 2, R gt ( F ) = 0.0244, w R ref ( F 2 ) = 0.0862, T = 296(2) K.
Open Access
The crystal structure of the co-crystal isonicotinamide – 2-(nitrophenyl)methanol (1/1), C₆H₆N₂O·C₇H₇NO₃

October 23, 2025

Lindelwa N. Maziya, Hlobsile Kgomo, Mark G. Smith

Page range: 893-894

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C 6 H 6 N 2 O·C 7 H 7 NO 3 , monoclinic, P 2 1 / n (no. 14), a = 3.7957(3) Å, b = 7.4395(5) Å, c = 43.878(3) Å, β = 91.181(3)°, V = 1238.77(16) Å 3 , Z = 4, R gt ( F ) = 0.0514, wR ref ( F 2 ) = 0.1138, T = 173 K.
Open Access
The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2-fluorobenzoate hydrate, C₂₃H₂₅F₂N₃O₆

September 16, 2025

Shu-hui Wang, Cheng-Yu Yang, Jia-Shu He, Cheng-Jun Jiang

Page range: 895-896

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C 23 H 25 F 2 N 3 O 6 , triclinic, P 1 ‾ $\overline{1}$ , a = 7.3162(3) Å, b = 10.4107(5) Å, c = 15.4537(7) Å, α = 84.3830(10)°, β = 82.7090(10)°, γ = 70.1110(10)°, V = 1096.01(9) Å 3 , Z = 2, R gt ( F ) = 0.0376, wR ref ( F 2 ) = 0.1097, T = 170 K.
Open Access
Crystal structure of [diaqua-{1H-benzo[d]imidazol-3-ium-5,6-dicarboxylato-κ²O,O′}magnesium(II)] C₁₈H₁₄MgN₄O₁₀

September 16, 2025

Shi Xie

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C 18 H 14 MgN 4 O 10 , orthorhombic, Pbca (no. 61), a = 6.9266(14) Å, b = 15.444(3) Å, c = 17.371(4) Å, V = 1858.3(6) Å 3 , Z = 4, R gt ( F ) = 0.0442, wR ref ( F 2 ) = 0.0980, T = 293 K.
Open Access
Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl) (2-iodo-5-methoxyphenyl)methanone, C₂₀H₂₀INO₅

September 16, 2025

Jia-Cheng Yuan, Yue Zhang, Yang Yu, Fei-Er Hai, Wei Cong

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C 20 H 20 INO 5 , monoclinic, P 2 1 /c (no. 14), a = 14.49960(10) Å, b = 18.5114(2) Å, c = 7.09190(10) Å, β = 95.2400(10)°, V = 1895.57(4) Å 3 , Z = 4, R gt ( F ) = 0.0348, w R ref ( F 2 ) = 0.0913, T = 293(2) K.
Open Access
The crystal structure of 3,7,11-trimethylbenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazine 5,5,9,9-tetraoxide, C₂₁H₁₇NO₄S₂

September 17, 2025

Jing Tan, Lingfeng Zhang, Penghui Ni

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C 21 H 17 NO 4 S 2 , orthorhombic, Pna 2 1 (no. 33), a = 15.028(3) Å, b = 14.045(3) Å, c = 8.9625(16) Å, V = 1891.7(6) Å 3 , Z = 4, R gt ( F ) = 0.0359, w R ref ( F 2 ) = 0.0870, T = 296 (2) K.
Open Access
Crystal structure of tris(piperazine-1,4-diium)bis(2-hydroxy-1,2,3-propane-tricarboxylate) pentahydrate, C₂₄H₅₆N₆O₁₉

September 19, 2025

Ayesha Jacobs, Sosthene Nyomba Kamanda

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C 24 H 56 N 6 O 19 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.0132(12) Å, b = 11.667(2) Å, c = 13.152(3) Å, α = 67.10(3)°, β = 88.54(3)°, γ = 83.18(3)°, V = 843.8(3) Å 3 , Z = 2, R gt ( F ) = 0.0606, wR ref ( F 2 ) = 0.1336, T = 173(2) K.
Open Access
Crystal structure of 2-chloro-5-((5-isopropyl-2-methylphenoxy)methyl)pyridine, C₁₆H₁₈ClNO

September 22, 2025

Zheng-Jun Liu, Xiao-Miao Chen, Wu-Chao Zhou, Chang-Fu Wu, Fei-Fei Yang, Wei Zheng

Page range: 909-910

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C 16 H 18 ClNO, monoclinic, C 2/ c , a = 18.6281(16) Å, b = 6.1621(4) Å, c = 27.621(3) Å, β = 108.167(2)°, V = 3012.6(5) Å 3 , Z = 8, R gt ( F ) = 0.0491, w R ref ( F 2 ) = 0.1168, T = 296.15 K.
Open Access
Crystal structure of (E)-4-(4-(1H-pyrrol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[(b)]oxepin-5(2H)-one, C₂₃H₂₁NO₄

September 23, 2025

Yu-Hao Miao, Mu-Chen Jiang, De-Li Xia, Wen-Xin Zhu, Yue-Xia Ding, Gui-Ge Hou

Page range: 911-913

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C 23 H 21 NO 4 , monoclinic, P 2 1 / c (no. 14), a = 18.4694(3) Å, b = 6.9105(1) Å, c = 14.9464(3) Å, β = 93.749(2)°, V = 1903.57(6) Å 3 , Z = 4, R gt ( F ) = 0.0426(3375), wR ref ( F 2 ) = 0.1183(3743), T = 293 K.
Open Access
Crystal structure of (E)-N′-(3,4-dichlorobenzylidene)-3,4,5-trimethoxybenzohydrazide, C₁₇H₁₆Cl₂N₂O₄

October 24, 2025

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

Page range: 915-917

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C 17 H 16 Cl 2 N 2 O 4 , monoclinic, P 2 1 / c (no. 14), a = 8.0893(1) Å, b = 26.1791(3) Å, c = 8.2311(1) Å, β = 98.002(1)°, V = 1726.13(4) Å 3 , Z = 4, R gt ( F ) = 0.0343, w R ref ( F 2 ) = 0.0904, T = 160 K.
Open Access
The crystal structure of 2-(2-hydroxyphenyl)-3-(pyridin-2-yl)-2,3- dihydroquinazolin-4(1H)-one, C₁₉H₁₅N₃O₂

October 23, 2025

Lin Yuan, Qi Zhou, Liwen Zhai, Jingjing Zuo, Zhongyan Li

Page range: 919-920

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C 19 H 15 N 3 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.8676(14) Å, b = 10.8842(17) Å, c = 16.167(3) Å, V = 1560.3(4) Å 3 , Z = 4, R gt ( F ) = 0.0305, wR ref ( F 2 ) = 0.0828, T = 296(2) K.
Open Access
Crystal structure of 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methylchroman-4-one, C₁₇H₁₆O₅

October 10, 2025

Yan-Qing Wang, ShuLin Song, WenYu Du, Wen Li, Lintao Dong

Page range: 921-924

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C 17 H 16 O 5 ${\mathrm{C}}_{17}{\mathrm{H}}_{16}{\mathrm{O}}_{5}$ , monoclinic, P 2 1 / c (no. 14), a = 4.76512(14) Å, b = 16.0383(4) Å, c = 9.4922(3) Å, β = 101.161(3) ° , V = 711.72(4)  Å 3 ${\mathring{\text{A}}}^{3}$ , Z = 2, R gt ( F ) = 0.0362, wR ref ( F 2 ) = 0.0976, T = 296.15 K.
Open Access
Crystal structure of bis[(3,4-dimethoxybenzyl)triphenylphosphonium]di-μ2-bromido-dibromidodicopper(I)

October 24, 2025

Jiayan Wang, Qianyou Su, Yuan Gao, Liguo Li, Xiuhua Li

Page range: 925-926

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C 54 H 52 Br 4 Cu 2 O 4 P 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.9855(4) Å, b = 10.5557(4) Å, c = 13.3955(5) Å, α = 69.662(3) ∘ , β = 78.316(3) ∘ , γ = 79.167(3) ∘ , V = 1285.81 Å 3 , Z = 1, R gt ( F ) = 0.0446, wR ref ( F 2 ) = 0.1110, T = 305.00(10) K.
Open Access
Crystal structure of bis [(1,3-dioxolan-2-ylmethyl)triphenylphosphonium] tetrabromidodicopper(I), C₂₂H₂₂Br₂CuO₂P

October 23, 2025

Xinyang Li, Xinyu Zhao, Meiying Wang, Xiuhua Li

Page range: 927-928

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C 22 H 22 Br 2 CuO 2 P, monoclinic, C 2/ c (no. 15), a = 17.5804(15) Å, b = 15.1053(7) Å, c = 19.4144(16) Å, β = 119.893(11)°, V = 4469.7(7) Å 3 , Z = 8, R gt ( F ) = 0.0367, w R ref ( F 2 ) = 0.0765, T = 305(1) K.
Open Access
Crystal structure of [1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid], C₁₂H₈N₂O₅

October 23, 2025

Dong Wang, Yu-Jie Xie, Ye-Meng Sheng, Bo-Bo Han, Wen-Duo Zhu, Jiu-Fu Lu

Page range: 929-930

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C 12 H 8 N 2 O 5 , triclinic, P 1¯ (no. 2), a = 6.9215(2) Å, b = 8.0572(2) Å, c = 19.8378(6) Å, α = 98.657(1)°, β = 94.076(1)°, γ = 90.495(1)°, V = 1090.73(5) Å 3 , Z = 2, R gt ( F ) = 0.0602, wR ref ( F 2 ) = 0.1329, T = 293(2) K.
Open Access
The crystal structure of one-dimensional cooridnation polymer bis(thiocyanato)-bis((1E,2E)-1,2-bis(1-(pyridin-3-yl)ethylidene)-hydrazine κ²N:N)iron(II), (C₃₀H₂₈N₁₀S₂Fe)_n

October 23, 2025

Tong Cao, Daopeng Zhang

Page range: 931-932

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C 30 H 28 N 10 S 2 Fe, monoclinic, P 2 1 / n (no. 14), a = 9.5643(4) Å, b = 16.9693(9) Å, c = 9.5997(5) Å, β = 98.531(5)°, V = 1540.79(13) Å 3 , Z = 2, R gt ( F ) = 0.0457, wR ref ( F 2 ) = 0.1316, T = 293 K.
Open Access
Crystal structure of ((4-acetamidophenyl)sulfonyl)-l-alanine, C₁₁H₁₄N₂O₅S

October 23, 2025

Zheng-Jun Liu, Xiao-Miao Chen, Wei Zheng, Wu-Chao Zhou, Chang-Fu Wu, Fei-Fei Yang

Page range: 933-934

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C 11 H 14 N 2 O 5 S, tetragonal, P 4 3 (no. 78), a = 8.1709(4) Å, c = 20.3262(11) Å, V = 1357.05(15) Å 3 , Z = 4, R gt ( F ) = 0.0366, wR ref ( F 2 ) = 0.0985, T = 273.15 K.
Open Access
Crystal structure of [(1-naphthalen-1-yl-methyl)triphenylphosphonium] dichloridocopper(I), [C₂₉H₂₄P]⁺[CuCl₂]⁻

October 23, 2025

Chaohong Ma, Xianwu Dong, Jinke Jiang, Hui Jiang

Page range: 935-936

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C 29 H 24 Cl 2 CuP, monoclinic, P 2 1 / c (no. 14), a = 8.5353(4) Å, b = 18.6264(8) Å, c = 16.6884(8) Å, β = 101.159(4)°, V = 2603.0(2) Å 3 , Z = 4, R gt ( F ) = 0.0381, wR ref ( F 2 ) = 0.1073, T = 305(1) K.
Open Access
RbTm₃S₅: the first rubidium lanthanoid(III) sulfide with CsEr₃Se₅-type crystal structure

October 23, 2025

Katja Engel, Thomas Schleid

Page range: 937-938

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RbTm 3 S 5 , orthorhombic, Pnma (no. 62), a = 20.7225(16) Å, b = 3.9231(3) Å, c = 11.6958(9) Å, V = 950.83(13) Å 3 , Z = 4, R gt ( F ) = 0.0263, wR ref ( F 2 ) = 0.0666, T = 293 K.
Open Access
Crystal structure of 2,2′-((ethane-1,2-diylbis(methylammoniumdiyl))bis(methylene))bis(pyridin-1-ium) diiodido-tris(μ₂-iodido-κ²I:I)dicopper(II) chloride dihydrate, C₁₆H₃₀Cu₂I₆N₄O₂

October 23, 2025

Xianglin Li, Caihua Qin, Liguo Li, Xiuhua Li

Page range: 939-940

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C 16 H 30 Cu 2 I 6 N 4 O 2 , monoclinic, P 2/ c (no. 13), a = 14.2988(8) Å, b = 7.6125(2) Å, c = 15.9005(8) Å, β = 116.017(7)°, V = 1555.37(15) Å 3 , Z = 2, R gt ( F ) = 0.0328, wR ref ( F 2 ) = 0.0935, T = 305.05(10) K.
Open Access
The crystal structure of 4-(trifluoromethyl)pyridine-2-carboxylic acid, C₇H₄F₃NO₂

October 23, 2025

Juan Zhou, Xinlei Zhang

Page range: 941-943

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C 7 H 4 F 3 NO 2 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 9.1863(6) Å, b = 15.1325(9) Å, c = 17.6356(11) Å, α = 107.189(2)°, β = 93.126(2)°, γ = 103.753(2)°, V = 2254.2(2) Å 3 , Z = 12, R gt ( F ) = 0.0518, w R ref ( F 2 ) = 0.1278, T = 100(2) K.
Open Access
The crystal structure of (E)-2-ethoxy-1-methoxy-4-(2-(methylsulfonyl)vinyl)benzene, C₁₂H₁₆O₄S

October 9, 2025

Yong Li, Jingjing Wang

Page range: 945-947

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C 12 H 16 O 4 S, monoclinic, P 2 1 / c (no. 14), a = 10.7916(4) Å, b = 14.2171(5) Å, c = 8.7371(3) Å, β = 107.0210(10)°, V = 1281.77(8) Å 3 , Z = 4, R gt ( F ) = 0.0333, wR ref ( F 2 ) = 0.0926, T = 170.00 K.
Open Access
Crystal structure of potassium 1H,1H,2H,2H-perfluorooctanesulfonate, C₈H₄O₃F₁₃SK

October 23, 2025

Zhujun Huang, Ji Li

Page range: 949-951

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C 8 H 4 O 3 F 13 SK, monoclinic, P 2 1 /c (no. 14), a = 27.550(3) Å, b = 16.0932(16) Å, c = 9.9834(10) Å, β = 96.686(4)°, V = 4396.3(8) Å 3 , Z = 4, T = 100 K, R gt ( F ) = 0.0559, wR ref ( F 2 ) = 0.1609.
Open Access
Crystal structure of 4-(4-(quinolin-8-yloxy)-1,2,5-thiadiazol-3-yl)morpholine, C₁₅H₁₄O₂N₄S

October 10, 2025

Mokete A. Motente, Uche A. K. Chude-Okonkwo, Orpah Zinyemba, Dumisane V. Kama

Page range: 953-954

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C 15 H 14 O 2 N 4 S, monoclinic, P 2 1 / n (no. 14), a = 7.4484(6) Å, b = 17.3543(15) Å, c = 11.7814(9) Å, β = 106.377(3)°, V = 643.50(8) Å 3 , Z = 4, R gt ( F ) = 0.0853, wR ref ( F 2 ) = 0.0871, T = 100 K.
Open Access
The crystal structure of 1,4-bis(bromomethyl)-2,5-dimethylbenzene, C₁₀H₁₂Br₂

October 23, 2025

Zhou Juan, Zhang Xinlei

Page range: 955-956

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C 10 H 12 Br 2 , monoclinic, P 2 1 / c (no. 14), a = 8.1816(14) Å, b = 4.4288(7) Å, c = 15.2809(19) Å, β = 93.126(2)°, V = 516.10(14) Å 3 , Z = 2, R gt ( F ) = 0.0403, wR ref ( F 2 ) = 0.1011, T = 170 K.
Open Access
The crystal structure of imidazo[4,5-e][1,3]diazepine-4,6,8-triamine methanol solvate, C₇H₁₁N₇O

October 23, 2025

Pang Kairui, Xue Mei, Lan Guanchao, Li Yunlu, Wang Jianlong

Page range: 957-958

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C 7 H 11 N 7 O, monoclinic, P 2 1 / c (no. 14), a = 8.805(3) Å, b = 7.483(3) Å, c = 14.741(6) Å, β = 105.719(6)°, V = 934.9(6) Å 3 , Z = 4, R gt ( F ) = 0.0646, wR ref ( F 2 ) = 0.1603, T = 296 K.
Open Access
The crystal structure of chlorido-bis(1,10-phenantroline-κ²N,N′)-(2-formylphenoxyacetato-κ²O,O) lead(II), C₃₃H₂₃N₄O₄ClPb

October 23, 2025

Hou Zhan-Feng, Chen Ke, Hao Yi-Ying, Zhou Tao, Tai Xi-Shi

Page range: 959-960

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C 33 H 23 N 4 O 4 ClPb, monoclinic, P 2 1 / n (no. 14), a = 11.0932(8) Å, b = 16.7331(10) Å, c = 16.1349(10) Å, β = 107.018(2)°, V = 2863.9(3) Å 3 , Z = 4, R gt ( F ) = 0.0364, w R ref ( F 2 ) = 0.0870, T = 293(2) K.
Open Access
Crystal structure of pyridinium tetrakis(1,1,1-trifluoro-2,4-pentadionato-κ²O,O′)yttrium(III) C₂₀F₁₂H₁₆YO₈C₅H₆N

October 13, 2025

Yan Wang, Lifang Wang

Page range: 961-962

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C 25 H 22 F 12 YNO 8 , monoclinic, P 2 1 / c , a = 10.4906(1) Å, b = 19.4817(2) Å, c = 15.6951(1) Å, β = 103.637(1)°, V = 3117.25(5) Å 3 , Z = 4, R gt ( F ) = 0.0373, w R ref ( F 2 ) = 0.0976, T = 150.0(1) K.

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