Zeitschrift für Kristallographie - New Crystal Structures

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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

December 18, 2025

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New Crystal Structures
Open Access
The crystal structure of ( E )-4-chloro-7-(diethylamino)-3-(3-oxo-3-phenylprop-1-en-1-yl)-2 H -chromen-2-one C₂₂H₂₀ClNO₃

October 29, 2025

Guangqian Ji, Qiaozhi Hou, Xuyang Liu, Xiaochuan Li

Page range: 1-4

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C 22 H 20 ClNO 3 , monoclinic, P 2 1 / n (no. 14), a = 9.3891(4) Å, b = 11.0821(4) Å, c = 17.4662(5) Å, β = 98.361(3)°; V = 1798.06 Å 3 , Z = 4, R gt ( F ) = 0.0361, wR ref ( F 2 ) = 0.0911, T = 100 K.
Open Access
Crystal structure of (5S,6E,8E,10E,13R,15S,16Z)-15,5,13,15-tetrahydroxy-16-methyl-2-aza-1(1,3)-benzenacyclononadecaphane-6,8,10,16-tetraen-3-one, C₂₄H₃₁NO₅

October 29, 2025

Shu-Feng Bi, Jian Chen, Qian-Nuo Bian, Pu Cui

Page range: 5-6

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C 24 H 31 NO 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.9020(10) Å, b = 17.638(4) Å, c = 24.848(5) Å, V = 2148.4(7) Å 3 , Z = 4, R gt ( F ) = 0.0751, wR ref ( F 2 ) = 0.1901, T = 293(2) K.
Open Access
The crystal structure of [bis(6-phenylpyridine-2-carboxylato-κ²O,N)-dihydrate-nickel(II)] ethanol solvate

October 30, 2025

Zhang Li-Li, Wang Li-Hua, Tai Xi-Shi

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C 24.5 H 21.5 N 2 O 6.25 Ni, monoclinic, I 2/ a (no. 15), a = 13.8298(5) Å, b = 17.5416(4) Å, c = 19.4291(6) Å, β = 108.974(4)°, V = 4457.3(3) Å 3 , Z = 8, R gt ( F ) = 0.0845, w R ref ( F 2 ) = 0.0889, T = 305(2) K.
Open Access
The crystal structure of poly[(μ₃-2-nitro-1,3-phenyldicarboxylato-κ⁵ O, O′:O″,O″,O″′)-bis(N,N-dimethylpropionamide)calcium(II)], C₁₈H₂₅CaN₃O₈

November 6, 2025

Xinyu Chen, Guang Huang

Page range: 11-12

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C 18 H 25 CaN 3 O 8 , orthorhombic, Cmce (no. 64), a = 15.4480(13) Å, b = 18.4903(11) Å, c = 15.1952(14) Å, V = 4,340.3(6) Å 3 , Z = 8, R gt ( F ) = 0.0670, wR ref ( F 2 ) = 0.11410, T = 219(10) K.
Open Access
Solvothermal synthesis and crystal structure of poly((μ₃-2-amino-1,3-benzenedicarboxylato-κ⁴O:O′,O″,O‴)-bis(μ₄-2-amino-1,3-benzenedicarboxylato-κ⁵O:O:O′,O″,O‴)-(N,N-dimethylformamide)-aqua-di-europium(III)-N,N-dimethylformamide solvate, C₃₀H₃₁N₅O₇Eu₂

October 29, 2025

Ruan-Xiang Liu, Ru-Yu Jin, Xing-Yu Chen, Shi-He Song, Bin Cai, Yuning Meng

Page range: 13-15

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C 30 H 31 N 5 O 7 Eu 2 , orthorhombic, Pna 2 1 (no. 34), a = 18.1766(8) Å, b = 11.0796(5) Å, c = 16.5109(6) Å, V = 3325.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0230, wR ref ( F 2 ) = 0.0611, T = 150(2) K.
Open Access
Crystal structure of (1R,4S,6S,6aS,9R,11bS,12S)-1,6,12-trihydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl)methyl acetate

November 5, 2025

Huan-Hai Fan, Liang-Yue Li, Jie Wu, Jing-Jie Zhang, Ji-Xin Li

Page range: 17-18

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C 22 H 32 O 6 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.259(3) Å, b = 21.221(9) Å, c = 23.813(10) Å, V = 4174(3) Å 3 , Z = 8, R gt ( F ) = 0.0511, wR ref ( F 2 ) = 0.1307, T = 265(2) K.
Open Access
Crystal structure of diaqua[bis(5-methyl-2-pyrazinecarboxylato-κ²N,O)]zinc(II), C₁₂H₁₄N₄O₆Zn

October 28, 2025

Haining Xing, Yingying Dong, Jia Xu, Kemin Song, Hui Jiang

Page range: 19-20

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C 12 H 14 N 4 O 6 Zn, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.0704(4) Å, b = 7.4265(4) Å, c = 14.4471(6) Å, α = 89.851(4) ° , β = 78.596(4) ° , γ = 81.053(4) ° , V = 734.26(7) Å 3 , Z = 2, R gt ( F ) = 0.0342, wR ref ( F 2 ) = 0.0806, T = 293(2) K.
Open Access
Hydrogen bonding in the crystal structure of the organic salt (R)-1-phenylethan-1-aminium (R)-5-(1,2-dithiolan-3-yl)pentanoate – a salt of the lipoic acid

October 29, 2025

Guido J. Reiss

Page range: 21-23

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C 16 H 25 NO 2 S 2 , monoclinic, P 2 1 (no. 4), a = 10.8352(3) Å, b = 6.3694(2) Å, c = 13.3196(4) Å, β = 107.681(4)°, Z = 2, V = 875.81(5) Å 3 , R gt ( F ) = 0.0233, w R ref = 0.0525, Flack–Parsons-parameter: −0.002(6) using 1518 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons, S.; Flack, H. D.; Wagner, T. Use of Intensity Quotients and Differences in Absolute Structure Refinement. Acta Crystallogr. 2013 , B69, 249–259), T = 150(2) K.
Open Access
The crystal structure of 5-amino-4-(4-amino-1-oxoisoindolin-2-yl)-5-oxopentanoic acid, C₁₃H₁₅N₃O₄

November 4, 2025

Yan Zhang, Shuang Huang, Tingting Han

Page range: 25-26

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C 13 H 15 N 3 O 4 , monoclinic, P 2 1 / c (No. 4), a = 8.641(4) Å, b = 7.372(3) Å, c = 11.195(6) Å, β = 107.24(2)°, V = 681.2(6) Å 3 , Z = 2, T = 296 K, R gt ( F ) = 0.0338, w R ref ( F 2 ) = 0.0859.
Open Access
Crystal structure of 2-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)benzaldehyde, C₁₃H₁₃O₃N₃S

October 23, 2025

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

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C 13 H 13 O 3 N 3 S, monoclinic, Pn (no. 7), a = 6.9318(5) Å, b = 12.0202(8) Å, c = 7.8080(6) Å, β = 98.469(3)°, V = 643.50(8) Å 3 , Z = 2, R gt ( F ) = 0.0906, wR ref ( F 2 ) = 0.0914, T = 100 K.
Open Access
The crystal structure of 2,8,14,20-tetrapropylpentacyclo[19.3.1.1^3,7.1^9,13.11^5,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18, 21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol – acetone – water (1(3/3))

November 10, 2025

Youngjin Jeon

Page range: 29-30

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C 49 H 72 O 18 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 11.6836(8) Å, b = 12.9214(9) Å, c = 17.6368(12) Å, α = 104.0750(10)°, β = 95.6990(10)°, γ = 101.6690(10)°, V = 2,498.2(3) Å 3 , Z = 2, R gt ( F ) = 0.0717, w R ref ( F 2 ) = 0.2331, T = 213(2) K.
Open Access
Crystal structure of bis(m₂-(2-oxidophenyl)-5-(pyridin-2-yl)pyrazolyl k⁴N,N′:N′′,O:O)-(μ₂-acetic acid k²O:O)-(N,N-dimethylformamide k¹O)dimanganese(II) N,N-dimethylformamide solvate, C₃₆H₃₆Mn₂N₈O₆

December 2, 2025

Bin Liu, Ling-Yun Mao

Page range: 31-34

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C 36 H 36 Mn 2 N 8 O 6 , monoclinic, P 2 1 / c , a = 14.1582(12) Å, b = 15.0500(13) Å, c = 17.4625(15) Å, β = 109.195(2)°, V = 3514.1(5) Å 3 , Z = 4, R gt ( F ) = 0.0549, w R ref ( F 2 ) = 0.1627, T = 298 K.
Open Access
The crystal structure of 2,2′-difluoro-3,3′-dimethoxy-1,1′-biphenyl, C₁₄H₁₂F₂O₂

October 29, 2025

Jingjing Wang, Yong Li

Page range: 35-37

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C 14 H 12 F 2 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 10.7266(4) Å, b = 17.4494(8) Å, c = 24.9738(11) Å, V = 4674.4(3) Å 3 , Z = 16, R gt ( F ) = 0.0457, wR ref ( F 2 ) = 0.1170, T = 170.0 K.
Open Access
The crystal structure of (E)-4-(2-methoxyphenoxy)-3-(2-(-1,3,3,6a-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C₃₀H₄₀O₆

November 11, 2025

Zhuyun Liu, Pengfei Ding, Weilu Guo, Donghua Zhai, Shanshan Yang, Lizhong Wang

Page range: 39-40

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C 30 H 40 O 6 , monoclinic, C 2 (no. 5), a = 25.932(5) Å, b = 7.2230(14) Å, c = 18.458(4) Å, β = 127.75(3)°, V = 2,733.7(9) Å 3 , Z = 4, R gt ( F ) = 0.0556, w R ref ( F 2 ) = 0.0951, T = 293(2) K.
Open Access
Crystal structure of 3-hydroxy-2-mesityl-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one – a Z′ = 3 structure –

October 30, 2025

Julia Steinfort, Guido J. Reiss, Christian Ganter, Marius Molter

Page range: 41-44

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C 20 H 23 NO 2 , monoclinic, P 2 1 / n (no. 14), a = 9.58280(10) Å, b = 23.1183(2) Å, c = 23.4140(2) Å, β = 91.9840(10)°, V = 1522.93(11) Å 3 , Z = 12, R gt ( F ) = 0.0468, wR ref ( F 2 ) = 0.1207, T = 150 K.
Open Access
Crystal structure of bis(1,1′-biphenyl-2,2′-diolato-κ²O,O′)-bis (1H-pyrazole-κ¹N)titanium(IV) pyrazole solvate, C₃₆H₃₂N₈O₄Ti

November 26, 2025

Li-Fang Wang, Yu-Hua Guo, You-Zhu Yu

Page range: 45-47

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C 36 H 32 N 8 O 4 Ti, Orthorhombic, Pbcn , a = 12.3387(4) Å, b = 15.7701(5) Å, c = 17.2394(6) Å, V = 3354.48(18) Å 3 , Z = 4, R gt ( F ) = 0.0621, wR ref ( F 2 ) = 0.1856, T = 293(2) K.
Open Access
Crystal structure of di-μ-azido -k¹N bis[2-(1,10-phenanthrolin-2-yl)benzo[d]imidazol-1-ido-k³N,N′,N′′]-bis(methanol-k¹O)-di-manganese

December 1, 2025

Xiu-Teng Wang, Wei Wei

Page range: 49-50

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C 20 H 15 N 7 OMn, monoclinic, P 2 1 / c (no. 14), a = 10.335(2) Å, b = 13.403(3) Å, c = 14.097(3) Å, β = 105.11(3)°, V = 1885.1(7) Å 3 , Z = 4, R gt ( F ) = 0.0380 wR ref ( F 2 ) = 0.0721, T = 173(2) K.
Open Access
Crystal structure of bis(acetato-κ¹O)-bis methanol-κ¹O)bis(1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol-κ¹N)nickel(II)

November 6, 2025

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

Page range: 51-52

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C 34 H 50 Cl 2 N 6 O 10 Ni, triclinic, P 1 ‾ $P\overline{1}$ , a = 8.974(2) Å, b = 10.380(2) Å, c = 12.859(4) Å, α = 108.756(6)°, β = 108.825(6)°, γ = 97.592(3)°, V = 1035.7(4) A 3 , Z = 1, R gt ( F ) = 0.0561, wR ref ( F 2 ) = 0.1464, T = 296(2) K.
Open Access
Crystal structure of (E)-(3-(4-fluorophenyl)acryloyl)ferrocene, C₁₉H₁₅FFeO

October 29, 2025

Bin Liu, Xiaona Xu, Zhoujing Zhu, Yanjiao Wang

Page range: 53-54

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C 19 H 15 FFeO, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.9299(10) Å, b = 11.0947(16) Å, c = 22.793(4) Å, V = 1499.5(4) Å 3 , Z = 4, R gt ( F ) = 0.0337 wR ref ( F 2 ) = 0.0822, T = 260 K.
Open Access
The crystal structure of 5,7-dinitro-1,3,5,7-dioxadiazocane

October 29, 2025

Li Sijie, Zhang Xuan, Xu Yinguang, Wang Xiaojun, Wang Jianlong

Page range: 55-56

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C 4 H 8 O 6 N 4 , orthorhombic, Pca 2 1 (no. 29), a = 8.22531(7) Å, b = 8.43724(8) Å, c = 11.23430(9) Å, V = 779.648(12) Å 3 , Z = 4, R gt ( F ) = 0.0229, wR ref ( F 2 ) = 0.0617, T = 100 K.
Open Access
Crystal structure of 5-(2,5-dimethoxyphenyl)-8-methoxy-2-oxo-2H-chromene-6-carbaldehyde, C₁₉H₁₆O₆

November 10, 2025

Jianhui Ma, Wenjiao Wang, Xudong Zhang, Cong Huang, Minghong Dong

Page range: 57-58

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C 19 H 16 O 6 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 8.248(2) Å, b = 9.657(3) Å, c = 11.753(4) Å, α = 69.300(8)°, β = 79.359(8)°, γ = 65.703(8)°, V = 797.3(4) Å 3 , Z = 2, R gt ( F ) = 0.0676, w R ref ( F 2 ) = 0.1629, T = 296 K.
Open Access
The crystal structure of 2,5-diphenyloxazole–2,5-dihydroxyterephthalic acid (2/1), C₁₉H₁₄NO₄

November 6, 2025

Xiaona Xu, Hongjuan Tong, Bin Liu

Page range: 59-60

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C 19 H 14 NO 4 , monoclinic, P 2 1 / c (no. 14), a = 16.8973(12) Å, b = 5.6188(3) Å, c = 18.1088(15) Å, β = 117.145(10)°, V = 1529.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0420 wR ref ( F 2 ) = 0.1050, T = 200(10) K.
Open Access
Crystal structure of [bis(acetonitrile κ¹N)-bis(μ₂-3,3′-methylenebis(1-methyl-1,3-dihydro-2H-imidazole-2-thione)-κ²S,S)iron(II) diperchlorate], C₂₂H₃₀Cl₂FeN₁₀O₈S₄

November 5, 2025

Shu-Yang Chen, Zhen-Zhen Shi, Ying-Nan Cao, Ning Xi, Yu-Quan Feng

Page range: 61-63

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C 22 H 30 Cl 2 FeN 10 O 8 S 4 , orthorhombic, Pccn (no. 56), a = 17.905(6) Å, b = 13.141(4) Å, c = 14.918(5) Å, V = 3510.2(19) Å 3 , Z = 4, R gt ( F ) = 0.0763, wR ref ( F 2 ) = 0.2417, T = 296(2) K.
Open Access
The crystal structure of N-((4-chloro-5-(3-nitrophenyl)-2H-1,2,3-triazol-2-yl)methyl)acetamide, C₁₁H₁₀ClN₅O₃

November 10, 2025

Da Liu, Huiqi Guo, Sufang Lei, Yuanxiang Li

Page range: 65-66

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C 11 H 10 ClN 5 O 3 , triclinic, P 1 (no. 1), a = 4.7400(3) Å, b = 7.3892(4) Å, c = 9.6994(5) Å, α = 77.2610(10)°, β = 77.4300(4)°, γ = 78.6260°, V = 319.42(3) Å 3 , Z = 1, R gt ( F ) = 0.0274, wR ref ( F 2 ) = 0.0743.
Open Access
The crystal structure of 2-benzylsuccinic acid, C₁₁H₁₂O₆ Z. Kristallogr. - New Cryst. Struct.

November 4, 2025

Caiyu Zhang, Fengfeng Wang, Hua Chen, Lin Luan, Xiaowen Hu, Yang Liu

Page range: 67-68

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C 11 H 12 O 4 , orthorhombic, Pna 2 1 (no. 33), a = 18.9628(4) Å, b = 5.58910(10) Å, c = 9.6527(2) Å, V = 1023.04(4) Å 3 , Z = 4, R gt ( F ) = 0.0308, wR ref ( F 2 ) = 0.0849, T = 297 K.
Open Access
The crystal structure of tert-butyl 3-(1-benzoyl-5-methyl-3-oxo-4-phenethyl-1,2,3,4-tetrahydropyrazin-2-yl)-1H-indole-1-carboxylate, C₃₃H₃₃N₃O₄

November 6, 2025

Yong Li, Huaixiang Qu, Jun Hu, Hongxia Qin

Page range: 69-70

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C 33 H 33 N 3 O 4 , monoclinic, P 2 1 /c (no. 14), a = 10.9636(14) Å, b = 9.6450(12) Å, c = 27.328(4) Å, β = 99.637(2)°, V = 2848.9 Å 3 , Z = 4, R gt ( F ) = 0.0463, wR ref ( F 2 ) = 0.1189, T = 296 K.
Open Access
The crystal structure of 4-dimethylaminoantipyrine hydrochloride, C₁₃H₁₈N₃OCl

November 10, 2025

Lehandri Hancke, Rolivhuwa Mahwasane, Mark G. Smith

Page range: 71-72

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C 13 H 18 N 3 OCl, monoclinic, P 2 1 / c (no. 14), a = 13.5859(4) Å, b = 11.1576(3) Å, c = 8.7933(2) Å, β = 93.2730(10) ° , V = 1330.77 Å 3 , Z = 4, R gt ( F ) = 0.0320, w R ref ( F 2 ) = 0.0804, T = 100 K.
Open Access
Crystal structure of poly[μ₂-3-(pyrazin-2-yl)-1,2,4-triazolato-k³N:N′,N′′)(μ₂-formato-k²O:O′)copper(II)], C₇H₅CuN₅O₂

December 1, 2025

Wen Li, Yanping Feng, Jing Hu, Guofu Li, Yingchao Zhang

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C 7 H 5 CuN 5 O 2 , monoclinic, P 2 1 / c , a = 10.5558(2) Å, b = 6.98460(10) Å, c = 11.3149(2) Å, β = 91.374(2)°, V = 833.99(2) Å 3 , Z = 4, R gt ( F ) = 0.0222, wR ref ( F 2 ) = 0.0620, T = 100 K.
Open Access
Synthesis and crystal structure of 4-(ethoxycarbonyl)phenyl 2-chloro-4-fluorobenzoate, C₁₆H₁₂ClFO₄

November 25, 2025

Luo Ying, Chen Nuo, Liu Ming-Ming, Wang Zong-de, Luo Hai

Page range: 77-78

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C 16 H 12 ClFO 4 , monoclinic, P 2 1 , a = 12.2151(5) Å, b = 17.7534(12) Å, c = 13.8918(6) Å, β = 90.909(4)°, V = 3012.2(3) Å 3 , Z = 8, R gt ( F ) = 0.0491, wR ref ( F 2 ) = 0.1644, T = 296(2) K.
Open Access
Crystal structure of (4-(3,4-dimethylphenyl)-1H-pyrrole-3-carbonyl)ferrocene, C₂₃H₂₁FeNO

November 24, 2025

Xiaojuan Han, Jie Gao, Feijuan Wang, Wenqiang Tang, Bin Liu

Page range: 79-80

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C 23 H 21 FeNO, monoclinic, P 2 1 / c (no. 14), a = 13.8315(14) Å, b = 11.6496(10) Å, c = 11.8449(9) Å, β = 105.346(3)°, V = 1840.5(3) Å 3 , Z = 4, R gt ( F ) = 0.0627 wR ref ( F 2 ) = 0.1340, T = 170 K.
Open Access
Crystal structure of (4-(2,4-dimethoxyphenyl)-1H-pyrrole-3-carbonyl)ferrocene, C₂₃H₂₁FeNO₃

November 28, 2025

Zhoujing Zhu, Hongjuan Tong, Juanjuan Wen, Yanjiao Wang, Bin Liu

Page range: 81-82

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C 23 H 21 FeNO 3 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.2788(6) Å, b = 10.4682(8) Å, c = 12.7791(10) Å, α = 84.841(3)°, β = 77.615(3)°, γ = 73.636(3)°, V = 912.08(13) Å 3 , Z = 2, R gt ( F ) = 0.0457, wR ref ( F 2 ) = 0.0955, T = 150 K.
Open Access
The crystal structure of bis(1-(2-chloroethyl)pyrrolidin-1-ium) hexachloridotin(IV), C₁₂H₂₂Cl₈N₂Sn

November 28, 2025

Xiaoping Zhou, Zhiwei Tang, Jiangcong Zhou

Page range: 83-84

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C 12 H 22 Cl 8 N 2 Sn, orthorhombic, Pna 2 1 (no. 33), a = 26.8152(16) Å, b = 9.8017(8) Å, c = 8.8168(6) Å, V = 2317.36(30) Å 3 , Z = 4, R gt ( F ) = 0.0459, w R ref ( F 2 ) = 0.1121, T = 293 K.
Open Access
Co-crystallization of isonicotinamide with diphenic acid: formation of a supramolecular adduct

November 28, 2025

Jeraldine Maire Bourletidis How, Mark G. Smith

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C 20 H 16 N 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 14.5394(6) Å, b = 7.3913(3) Å, c = 17.8646(7) Å, β = 112.783(2) ° , V = 1770.03(13) Å 3 , Z = 4, R gt ( F ) = 0.0432, wR ref ( F 2 ) = 0.1014, T = 100 K.
Erratum
Open Access
Erratum

November 26, 2025

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