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Zeitschrift für Kristallographie - New Crystal Structures

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Volume 240, Issue 3

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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

May 5, 2025

Page range: i-vi

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New Crystal Structures
Open Access
Crystal structure of 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole), C₁₆H₄N₁₀O₁₄

March 26, 2025

Hao-Qi Guo, Yu-Lin Yang, Yong-Xiang Li

Page range: 379-380

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C 16 H 4 N 10 O 14 , monoclinic, P 2 1 / c (no. 14), a = 7.3407(4) Å, b = 6.0054(3) Å, c = 22.8359(11) Å, β = 93.758(2)°, V = 1004.53(9) Å 3 , Z = 2, R gt ( F ) = 0.0429, w R ref ( F 2 ) = 0.1017, T = 170 K.
Open Access
Crystal structure of catena-poly[(μ₃-4,4′-oxydibenzoato- κ⁵ O,O^′: O^″,O^‴:O^‴)-bis(2,4,6-tri(3-pyridine)-1,3,5-triazine-κ¹ N)cadmium(II)], C₅₀H₃₂CdN₁₂O₅

February 28, 2025

Hao Jing, Liu Ke, Hou Xia, Wang Hai

Page range: 381-383

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C 50 H 32 CdN 12 O 5 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.0273(2) Å, b = 15.4626(3) Å, c = 15.8910(2) Å, α = 96.5060(10) ° , β = 98.5010(10) ° , γ = 97.354(2) ° , V = 2155.88(7) Å 3 , Z = 2, R gt ( F ) = 0.0320, w R ref ( F 2 ) = 0.0849, T = 100 K.
Open Access
The crystal structure of 1,4-diazepane-1,4-diium potassium trinitrate, C₅H₁₄KN₅O₉

February 21, 2025

Jun-Ying Wu, Yi-Ping Shang, Jun-Jian Li, Dan-Yang Liu, Lang Chen

Page range: 385-386

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C 5 H 14 KN 5 O 9 , monoclinic, P 2 1 / c , a = 9.3820(3) Å, b = 9.3372(3) Å, c = 14.1593(5) Å, β = 98.916°, V = 1225.39 Å 3 , Z = 4, R gt ( F ) = 0.0249, wR ref ( F 2 ) = 0.0640, T = 100 K.
Open Access
The crystal structure of benzyl 2,2,5,5-tetramethylthiazolidine-4-carboxylate, C₁₅H₂₁NO₂S

February 21, 2025

Lingli Shao, Shuping Cai, Zhiming Li, Yutao Feng, Mengting Chen, Kaining Xu, Zhenxiang Liu

Page range: 387-389

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C 15 H 21 NO 2 S, monoclinic, P 2 1 / n (no. 62), a = 12.0769(6) Å, b = 6.1507(3) Å, c = 20.4335(11) Å, β = 90.710(2)°, V = 1517.71(13) Å 3 , Z = 4, T = 170 K, R gt ( F ) = 0.0341, w R ( F 2 ) = 0.0376.
Open Access
Crystal structure of 2-hydroxyethyl-triphenylphosphonium tetracyanidoborate, C₂₄H₂₀BN₄OP

April 15, 2025

Anke Topp, Lukas Konstantin, Martin Köckerling

Page range: 391-392

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C 24 H 20 BN 4 OP, monoclinic, P 2 1 / n (no. 14), a = 14.1418(2) Å, b = 10.5821(1) Å, c = 15.4684(2) Å, β = 94.622(1)°, V = 2307.32(5) Å 3 , Z = 4, R gt ( F ) = 0.0203, wR ref = 0.0408, T = 293(2) K.
Open Access
The crystal structure of 1-methyl-3-(N-methylnitrous amide–N-methylene) imidazolidine-2,4,5-trione

February 21, 2025

Wei Xiaolin, Zhou Jianhui, Geng Jinjun, Wen Zhiwei, Qu Manyi, Hou Xiaoting, Li Ruiqin, Feng Rui, Zhao Lukui, Lian Pengbao, Wang Jianlong

Page range: 393-394

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C 6 H 8 O 4 N 4 , orthorhombic, Pna 2 1 (no. 33), a = 6.5487(4) Å, b = 17.5223(9) Å, c = 7.5728(4) Å, V = 868.97(8) Å 3 , Z = 4, R gt (F) = 0.0740, wR ref ( F 2 ) = 0.0761, T = 106.0 K.
Open Access
Crystal structure of N-((3-cyano-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-5-yl)carbamoyl)-2,6-difluorobenzamide, C₂₀H₇Cl₂F₈N₅O₃S

February 24, 2025

Yingchun Fang, Changlei Song, Yu-e Duan, Xiaoxue Xie, Qingbo Du

Page range: 395-397

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C 20 H 7 Cl 2 F 8 N 5 O 3 S, monoclinic, P 2 1 / n (no. 14), a = 7.78993(14) Å, b = 11.8299(2) Å, c = 25.8640(5) Å, β = 93.1491(17)°, V = 2379.87(7) Å 3 , Z = 4, R gt ( F ) = 0.0540, wR ref ( F 2 ) = 0.1306, T = 100 K.
Open Access
Crystal structure of 5-(2,2-difluoropropyl)-5-methylbenzo[4,5]imidazo[2,1-a] isoquinolin-6(5H)-one, C₂₀H₁₈F₂N₂O

February 19, 2025

Hongjuan Tong, Xiaona Xu, Zhoujing Zhu, Yanrong Gao, Cuiya Zhang

Page range: 399-401

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C 20 H 18 F 2 N 2 O, monoclinic, P 2 1 /n (no. 14), a = 10.7795(8) Å, b = 12.7526(7) Å, c = 13.4631(10) Å, β = 111.105(8)°, V = 1726.6(2) Å 3 , Z = 4, R gt ( F ) = 0.0737 wR ref ( F 2 ) = 0.1862, T = 293 K.
Open Access
The crystal structure of N′,N″-[1,2-bis(4-chlorophenyl)ethane-1,2-diylidene]bis(furan-2- carbohydrazide), C₂₄H₁₆Cl₂N₄O₄

February 18, 2025

Wei Tian, Shuting Huang, Xinji Huang, Shijie Lin, Shaofeng Chen, Jingni Wang

Page range: 403-405

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C 24 H 16 Cl 2 N 4 O 4 , monoclinic, P 2 1 / n (no. 14), a = 10.2264(4) Å, b = 16.1772(6) Å, c = 13.8429(6) Å, β = 102.463(5)°, V = 2236.13(16) Å 3 , Z = 4, R gt ( F ) = 0.0574, wR ref ( F 2 ) = 0.1588, T = 220(2) K.
Open Access
Crystal structure of [(4-bromobenzyl)triphenylphosphonium] tetrabromoantimony(III), [C₂₅H₂₁BrP]⁺[SbBr₄]⁻

February 17, 2025

Xue Li, Guangyao Wang

Page range: 407-409

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C 25 H 21 Br 5 PSb, monoclinic, P 2 1 / c (no. 14), a = 10.5893(1) Å, b = 14.7743(2) Å, c = 18.9737(3) Å, β = 102.279(1)°, V = 2900.52(7) Å 3 , Z = 4, R gt ( F ) = 0.0481, w R ref ( F 2 ) = 0.1362, T = 293(2) K.
Open Access
Crystal structure of [(4-bromobenzyl)triphenylphosphonium] tetrabromidoindium(III), [C₂₅H₂₁BrP]⁺[InBr₄]⁻

February 17, 2025

Xue Li, Guangyao Wang

Page range: 411-412

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C 25 H 21 Br 5 PIn, monoclinic, P 2 1 / c (no. 14), a = 10.5887(2) Å, b = 14.7713(2) Å, c = 18.9737(3) Å, β = 102.300(2)°, V = 2899.53(8) Å 3 , Z = 4, R gt ( F ) = 0.0450, wR ref ( F 2 ) = 0.1205, T = 293(2) K.
Open Access
The crystal structure of 4-carboxy-2-oxobutan-1-aminium chloride, C₅H₁₀ClNO₃

February 18, 2025

Fengfeng Wang, Caiyu Zhang, Youyou Wang, Lin Luan, Xiaowen Hu, Yang Liu

Page range: 413-414

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C 5 H 10 ClNO 3 , orthorhombic, Pbca (no. 61), a = 8.2012(1) Å, b = 11.2215(2) Å, c = 16.8339(3) Å, V = 1549.22(4) Å 3 , Z = 8, R gt ( F ) = 0.0473, w R ref ( F 2 ) = 0.1331, T = 297 K.
Open Access
Crystal structure of (4-(4-chlorophenyl)-1H-pyrrole-3-carbonyl)ferrocene, C₂₁H₁₆ClFeNO

February 27, 2025

Xiaohua Li, Xiaolin Dang, Jingyin Yu, Bin Liu

Page range: 415-417

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C 21 H 16 ClFeNO, monoclinic, P 2 1 / c (no. 14), a = 14.6936(11) Å, b = 9.3784(6) Å, c = 12.7854(8) Å, β = 105.183(2)°, V = 1700.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0584 w R ref ( F 2 ) = 0.1719, T = 170 K.
Open Access
The crystal structure of dichlorido(η⁶-p-cymene)(triphenylarsine)ruthenium(II), C₂₈H₂₉AsCl₂Ru

February 18, 2025

Zanele Morerwa, Hadley S. Clayton

Page range: 419-422

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C 28 H 29 AsCl 2 Ru, monoclinic, P 2 1 / n (no. 14), a = 15.4135(9) Å, b = 9.2514(5) Å, c = 35.444(2) Å, β = 97.000(3)°, V = 5016.5(5) Å 3 , Z = 8, R gt ( F ) = 0.0537, wR ref ( F 2 ) = 0.1127, T = 100 K.
Open Access
Crystal structure of (Z)-2-hydroxy-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C₁₆H₁₆N₂O₂

March 11, 2025

Bin Liu, Xiaona Xu, Zhoujing Zhu

Page range: 423-424

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C 16 H 16 N 2 O 2 , orthorhombic, Pbca (no. 61), a = 12.5980(5) Å, b = 12.8535(4) Å, c = 17.5963(7) Å, V = 2849.34(18) Å 3 , Z = 8, R gt ( F ) = 0.0464, w R ref ( F 2 ) = 0.1396, T = 298 K.
Open Access
The crystal structure of 10-(1-bromoethyl)-14-(bromomethyl)dibenzo[a, c]acridine, C₂₄H₁₇NBr₂

February 28, 2025

Yuan Gao, Tao Liu, Pingping Ke, Fei Jia, Yuqi Zhang, Jijiang Wang, Erlin Yue

Page range: 425-426

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C 24 H 17 NBr 2 , monoclinic, P 2 1 / n (no. 14), a = 9.6466(19) Å, b = 14.030(3) Å, c = 13.894(3) Å, β = 100.95(3)°, V = 1846.2(7) Å 3 , Z = 4, R gt ( F ) = 0.0440, wR ref ( F 2 ) = 0.0970, T = 173(2) K.
Open Access
Synthesis and crystal structure of 6-methoxy-7-[(4-methoxyphenyl)methoxy]-2H-1-benzopyran-2-one, C₁₈H₁₆O₅

March 7, 2025

Wei Tian, Peng Yang, Yuxing Wang, Zengyan Yang

Page range: 427-428

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C 18 H 16 O 5 , Triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.6389(9) Å, b = 9.1335(11) Å, c = 10.8946(13) Å, α = 90.983(2)°, β = 90.398(2)°, γ = 93.522(2)°, V = 758.54(16) Å 3 , Z = 2, R gt ( F ) = 0.0433, w R ref ( F 2 ) = 0.1169, T = 296(2) K.
Open Access
Synthesis and crystal structure of ethyl 4-((4-trifluoromethylbenzyl)amino)benzo, C₁₇H₁₆F₃NO₂

March 14, 2025

Chun–Jie Lv, Xin Xiong, Pei–Pei Zhi

Page range: 429-430

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C 17 H 16 F 3 NO 2 , monoclinic, P 2 1 / n , a = 5.7291(4) Å, b = 37.994(3) Å, c = 6.9806(5) Å, β = 100.575(7)°, V = 1493.7(2) Å 3 , Z = 4, R gt ( F ) = 0.0598, w R ref ( F 2 ) = 0.1310, T = 100 K.
Open Access
The crystal structure of (Z)-2-(tert-butyl)-6-(7-(tert-butyl)-5-methylbenzo[d][1,3]oxathiol-2-ylidene)-4-methylcyclohexa-2,4-dien-1-one, C₂₃H₂₈O₂S

March 11, 2025

Qiumei Zhang, Mingming Xu

Page range: 431-432

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C 23 H 28 O 2 S, monoclinic, P 2 1 / m (no. 11), a = 9.3198(3) Å, b = 7.0131(2) Å, c = 15.4566(4) Å, β = 106.236(3) ∘ , V = 969.96(5) Å 3 , Z = 2, R gt ( F ) = 0.0335, wR ref ( F 2 ) = 0.0922, T = 100 K.
Open Access
The crystal structure of (R)-2-aminobutanamide hydrochloride, C₄H₁₁ClN₂O

March 7, 2025

Fengfeng Wang, Lin Luan, Youyou Wang, Xiaowen Hu, Caiyu Zhang, Yang Liu

Page range: 433-434

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C 4 H 11 ClN 2 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.9699(1) Å, b = 7.5867(2) Å, c = 17.3719(4) Å, V = 655.01(3) Å 3 , Z = 4, R gt (F) = 0.0286, wR ref (F 2 ) = 0.0796, T = 200 K.
Open Access
Crystal structure of bromido[hydridotris(3-tert-butyl-5-isopropylpyrazolyl)borato-κ³ N,N′,N″]copper(II), C₃₀H₅₂BBrCuN₆

March 11, 2025

Kiyoshi Fujisawa, Edward R.T. Tiekink

Page range: 435-438

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C 30 H 52 BBrCuN 6 , monoclinic, P 2 1 / n (no. 14), a = 9.4265(3) Å, b = 17.4945(5) Å, c = 20.2269(5) Å, β = 99.926(3)°, V = 3285.73(17) Å 3 , Z = 4, R gt ( F ) = 0.0387, wR ref ( F 2 ) = 0.1055, T = 184 K.
Open Access
Crystal structure of chlorido{hydridotris[3-mesityl-5-methyl-1H-pyrazol-1-yl-κN³]borato}-copper(II) dichloromethane monosolvate

March 11, 2025

Kiyoshi Fujisawa, Edward R. T. Tiekink

Page range: 439-442

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C 39 H 46 BClCuN 6 ·CH 2 Cl 2 , monoclinic, C 2/ c (no. 15), a = 18.1441(7) Å, b = 15.6735(8) Å, c = 28.1341(13) Å, β = 90.247(4)°, V = 8000.7(6) Å 3 , Z = 8, R gt ( F ) = 0.0563, wR ref ( F 2 ) = 0.1306, T = 168 K.
Open Access
Crystal structure of 4-[3,5-bis(propan-2-yl)-1H-pyrazol-4-yl]pyridine, C₁₄H₁₉N₃

March 12, 2025

Harukaze Kanazawa, Edward R. T. Tiekink, Kiyoshi Fujisawa

Page range: 443-445

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C 14 H 19 N 3 , monoclinic, P 2 1 / c (no. 14), a = 5.64918(12) Å, b = 17.0755(4) Å, c = 13.4012(3) Å, β = 92.053(2)°, V = 1291.88(5) Å 3 , Z = 4, R gt ( F ) = 0.0377, wR ref ( F 2 ) = 0.0983, T = 178 K.
Open Access
Crystal structure of ((4-(4-bromophenyl)-1H-pyrrol-3-yl)methyl)ferrocene, C₂₁H₁₆BrFeNO

March 7, 2025

Wenqiang Tang, Yanrong Gao, Xiaona Xu, Zhoujing Zhu

Page range: 447-449

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C 21 H 16 BrFeNO, monoclinic, P 2 1/ c (no. 14), a = 14.6736(9) Å, b = 9.5595(6) Å, c = 12.7860(7) Å, β = 105.579(2)°, V = 1727.63(18) Å 3 , Z = 4, R gt ( F ) = 0.0452 w R ref ( F 2 ) = 0.0919, T = 170 K.
Open Access
Crystal structure of [(4-chlorobenzyl)triphenylphosphonium] dichloridocopper(I), {[C₂₅H₂₁ClP]⁺[CuCl₂]⁻}_n

April 11, 2025

Xue Li, Guangyao Wang

Page range: 451-452

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C 25 H 21 Cl 3 CuP, monoclinic, Cc (no. 9), a = 8.69340(10) Å, b = 17.5173(3) Å, c = 16.2068(3) Å, β = 99.765(2) ∘ , V = 2432.29(7) Å 3 , Z = 4, R gt ( F ) = 0.0391, wR ref ( F 2 ) = 0.1044, T = 293(2) K.
Open Access
The crystal structure of {Cu(2,9-diisopropyl-4,7-diphenyl-1,10-phenanthroline)[4,5-bis(diphenylphosphino)-9,9-dimethylxanthene]}⁺ PF⁶⁻·1.5(EtOAC)

March 11, 2025

Shao-bo Ren, Zhi-ming Li, Chen-xi Zhu, Shuang-hua Cen, Zhen-xiang Liu, Shuping Cai

Page range: 453-455

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C 75 H 725 CuF 6 N 2 O 4 P 3 , monoclinic, P 2 1 / n (no. 62), 10.9629(7) Å, 33.452(2) Å, 19.7777(13) Å, β = 101.149(2)°, V = 7,116.2(8) Å 3 , Z = 4, R gt ( F ) = 0.0623, w R ( F 2 ) = 0.1632, T = 170 K.
Open Access
Crystal structure of 3,5-bis(t-butyl)-1H-pyrazol-4-amine, C₁₁H₂₁N₃

March 7, 2025

Kiyoshi Fujisawa, Shuto Sugihara, Edward R. T. Tiekink

Page range: 457-459

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C 11 H 21 N 3 , monoclinic, P 2 1 / c (no. 14), a = 11.2439(9) Å, b = 9.7110(6) Å, c = 11.9008(9) Å, β = 112.832(9) ∘ , V = 1197.63(17) Å 3 , Z = 4, R gt ( F ) = 0.0775, w R ref ( F 2 ) = 0.2318, T = 178 K.
Open Access
Crystal structure of [(2,4-dichlorobenzyl)triphenylphosphonium] trichloridocopper(II), [C₂₅H₂₀Cl₂P]⁺[CuCl₃]⁻

March 6, 2025

Chaohong Ma, Xianwu Dong, Jinke Jiang, Hui Jiang

Page range: 461-462

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C 25 H 20 Cl 5 CuP, monoclinic, I 2/ a (no. 15), a = 16.8258(3) Å, b = 11.0938(2) Å, c = 28.8065(4) Å, β = 106.359(2)°, V = 5159.39(16) Å 3 , Z = 8, R gt ( F ) = 0.0418, wR ref ( F 2 ) = 0.1161, T = 293(2) K.
Open Access
The crystal structure of dipotassium sulfide, K₂S

March 14, 2025

Günther Thiele, Islam Ramadan

Page range: 463-464

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K 2 S, cubic, F m 3 ‾ m $Fm\overline{3}m$ (no. 225), a = 7.3642(5) Å, V = 399.37(8) Å 3 , Z = 4, R int = 0.0348, R gt ( F ) = 0.0137 wR ref ( F 2 ) = 0.0379, GooF = 1.037, T = 100(1) K.
Open Access
Crystal structure of (4-(4-methoxyphenyl)-1H-pyrrole-3-carbonyl)ferrocene, C₂₂H₁₉FeNO₂

April 9, 2025

Yanhong Zhou, Chuan Zhang, Bin Liu

Page range: 465-466

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C 22 H 19 FeNO 2 , tetragonal, P 4 2 / n (no. 86), a = 21.7903(7) Å, c = 7.3022(4) Å, V = 3467.2(3) Å 3 , Z = 8, R gt ( F ) = 0.0385, w R ref ( F 2 ) = 0.1009, T = 170 K.
Open Access
Crystal structure of (E)-6-(4-methylpiperazin-1-yl)-2-(4-(trifluoromethyl)benzylidene)-3, 4-dihydronaphthalen-1(2H)-one, C₂₃H₂₃F₃N₂O

April 18, 2025

De-Li Xia, Rui Xu, Yu-Hao Miao, Yan Zhang, Yu-Xin Pan, Hong-Ao Chen, Lu Yu, Qing-Guo Meng, Gui-Ge Hou

Page range: 467-469

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C 23 H 23 F 3 N 2 O, monoclinic, Cc (no. 14), a = 19.6605(5) Å, b = 15.1474(3) Å, c = 6.4603(1) Å, β = 96.704(2)°, V = 1910.76(7) Å 3 , Z = 4, R gt (F) = 0.0567, wR ref (F 2 ) = 0.1746, T = 293 K.
Open Access
Crystal structure of (E)-6-morpholino-2-(4-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₂₂H₂₀F₃NO₂

April 18, 2025

Yu Chen, Yu-Xin Pan, Rui Xu, Yu-Hao Miao, Lu Yu, Qing-Guo Meng, Gui-Ge Hou

Page range: 471-473

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C 22 H 20 F 3 NO 2 , monoclinic, P 2 1 / c (no. 14), a = 18.2286(3) Å, b = 15.0613(3) Å, c = 6.4904(1) Å, β = 94.082(2)°, V = 1777.40(5) Å 3 , Z = 4, R gt ( F ) = 0.0388, wR ref ( F 2 ) = 0.1082, T = 293 K.
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Crystal structure of Ce₉Ir₃₇Ge₂₅

April 11, 2025

Daniel Voßwinkel, Theresa Block, Rainer Pöttgen

Page range: 475-477

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Ce 9 Ir 37 Ge 25 , hexagonal, P 6 ‾ m 2 $P\overline{6}m2$ (no. 187), a = 18.3707(16) Å, c = 3.9695(4) Å, and V = 1160.16(18) Å 3 , Z = 1, R gt ( F ) = 0.0315, wR ref ( F 2 ) = 0.0799, T = 293 K.
Open Access
The crystal structure of ethyl 6-(2-nitrophenyl)imidazo[2,1-b]thiazole-3-carboxylate, C₁₄H₁₁N₃O₄S

April 10, 2025

Yong Li, Jingjing Wang

Page range: 479-481

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C 14 H 11 N 3 O 4 S, monoclinic, P 2 1 / n (no. 14), a = 20.6433(8) Å, b = 6.9795(3) Å, c = 20.9482(8) Å, β = 112.440(1) ∘ , V = 2789.67(19) Å 3 , Z = 8, R gt ( F ) = 0.0344, wR ref ( F 2 ) = 0.0972, T = 170 K.
Open Access
Crystal structure of (4-(4-isopropylphenyl)-1H-pyrrol-3-yl)(ferrocenyl)methanone, C₂₄H₂₃FeNO

April 10, 2025

Hangzhou Tian, Geyu Chen, Jiejie Ma, Bin Liu

Page range: 483-485

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C 24 H 23 FeNO, monoclinic, P 2 1 / c (no. 14), a = 15.4240(10) Å, b = 10.2113(7) Å, c = 12.2776(7) Å, β = 105.808(2)°, V = 1860.6(2) Å 3 , Z = 4, R gt ( F ) = 0.0564 w R ref ( F 2 ) = 0.1804, T = 170 K.
Open Access
Crystal structure of bis(methylammonium) tetrathiotungstate(VI), (CH₃NH₃)₂[WS₄]

April 2, 2025

Kang-Woo Kim

Page range: 487-488

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C 2 H 12 N 2 S 4 W, orthorhombic, Pnma (no. 62), a = 9.6317(3) Å, b = 7.0104(2) Å, c = 15.7286(6) Å, V = 1062.03(6) Å 3 , Z = 4, R gt ( F ) = 0.0230, w R ref ( F 2 ) = 0.0520, T = 223 K.
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Crystal structure of 6,11-dihydro-12H-benzo[e]indeno[1,2-b]oxepin-12-one, C₁₇H₁₂O₂

April 2, 2025

Yanqing Wang, Hao Liu, Lin Wang, Huahao Li, Lintao Dong

Page range: 489-490

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C 17 H 12 O 2 , monoclinic, P 2 1 / c , a = 11.982(2) Å, b = 5.8563(11) Å, c = 17.894(3) Å, β = 99.892(4)°, V = 1237.0(4) Å 3 , Z = 4, R gt ( F ) = 0.0506, wR ref ( F 2 ) = 0.1221, T = 296.15 K.
Open Access
Crystal structure of 3-[(4-phenylpiperidin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4- oxadiazole-2-thione, C₁₈H₁₉N₃OS₂

April 23, 2025

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

Page range: 491-493

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C 18 H 19 N 3 OS 2 , orthorhombic, Pca 2 1 (no. 29), a = 14.8852(2) Å, b = 5.23480(10) Å, c = 44.1008(7) Å, V = 3436.38(10) Å 3 , Z = 8, R gt (F) = 0.0554, w R ref ( F 2 ) = 0.1501, T = 160 K.
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Crystal structure of N-isopropyl-1,8-naphthalimide C₁₅H₁₃NO₂

April 3, 2025

Weifeng He, Yingfan Liu, Jingjing Bi

Page range: 495-498

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C 15 H 13 NO 2 , orthorhombic, Cmce (no. 64), a = 7.0048(4) Å, b = 18.0939(7) Å, c = 19.2281(8) Å, V = 2437.0 Å 3 , Z = 8, R gt ( F ) = 0.0614, wR ref ( F 2 ) = 0.1989, T = 293.9(10) K.
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TiNiSi-type EuPdBi

April 2, 2025

Trinath Mishra, Rainer Pöttgen

Page range: 499-501

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EuPdBi, orthorhombic, Pnma (no. 62), a = 7.6860(10) Å, b = 4.8121(10) Å, c = 8.1149(10) Å, and V = 300.14(8) Å 3 , Z = 4, R gt ( F ) = 0.0338, w R ref ( F 2 ) = 0.0701, T = 293 K.
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Crystal structure of 1-(p-tolylphenyl)-4-(2-thienoyl)-3-methyl-1H-pyrazol-5-ol, C₁₆H₁₄N₂O₂S

April 8, 2025

Tong-Yin Jin, Jia-Ning Yang, Hong-Li Chen, Heng-Qiang Zhang, Lian-Yan Liao

Page range: 503-504

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C 16 H 14 N 2 O 2 S, orthorhombic, Pca 2 1 (no. 29), a = 11.5382(5) Å, b = 8.2480(5) Å, c = 15.1726(11) Å, V = 1,443.94(15) Å 3 , Z = 4, R gt ( F ) = 0.0379, w R ref ( F 2 ) = 0.0990, T = 173 K.
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The crystal structure of 3-(3-carboxypropyl)-2-nitro-1H-pyrrole 1-oxide, C₇H₉N₃O₅

April 2, 2025

Yong Wang, Jun Yuan

Page range: 505-506

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C 7 H 9 N 3 O 5 , monoclinic, P 2 1 / n (no. 14), a = 4.7454(3) Å, b = 11.6805(8) Å, c = 15.9284(9) Å, β = 95.257(2) Å V = 879.18(10) Å 3 , Z = 4, R gt ( F ) = 0.0462, wR ref ( F 2 ) = 0.1093, T = 170.0 K.
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The crystal structure of tetraaqua-bis(2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetato-k²O:N)-tetrakis(2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetato-k¹N)trizinc(II) hexahydrate C₃₆H₅₂N₁₈O₃₂Zn₃

April 14, 2025

Ze-Lin Wang, Jing-Lei Cheng, Yun Wang, Li-Lan Peng, Juan Sun

Page range: 507-508

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C 36 H 52 N 18 O 32 Zn 3 , monoclinic, P 2 1 / n (no. 14), a = 8.9375(11) Å, b = 18.668(2) Å, c = 17.193(2) Å, β = 93.746(4)°, V = 2862.4(6) Å 3 , Z = 2, R gt ( F ) = 0.0470, w R ref ( F 2 ) = 0.1195, T = 296.15 K.
Open Access
The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 4-hydroxy-3,5-dimethoxybenzoate monohydrate, C₂₅H₃₀FN₃O₉

April 15, 2025

Xuan-Ang Li, Cheng-Jun Jiang

Page range: 509-510

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C 25 H 30 FN 3 O 9 , monoclinic, P 2 1 / n , a = 16.3585(4) Å, b = 7.8763(2) Å, c = 18.7735(4) Å, ꞵ = 90.5690(10)°, V = 2418.74(10) Å 3 , Z = 4, R gt ( F ) = 0.0410, wR ref ( F 2 ) = 0.1055, T = 170 K.
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Crystal structure of bis(DL-1-carboxy-2-(1H-indol-3-yl)ethan-1-aminium) oxalate — acetic acid (1/2)

April 23, 2025

Amina Sayed, Ayesha Jacobs

Page range: 511-512

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C 28 H 34 N 4 O 12 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.5022(17) Å, b = 9.790(2) Å, c = 10.736(2) Å, α = 113.52(3)°, β = 91.93(3)°, γ = 115.68(3)°, V = 715.1(3) Å 3 , Z = 2, R gt ( F ) = 0.0394, w R ref ( F 2 ) = 0.1025, T = 173(2) K.
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Crystal structure of methyl (E)-4-((4-methylphenyl)sulfonamido)but-2-enoate, C₁₂H₁₅NO₄S

April 18, 2025

Shanshan Weng

Page range: 513-514

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C 12 H 15 NO 4 S, monoclinic, P 2 1 / c (no. 14), a = 16.4941(3) Å, b = 6.95290(10) Å, c = 11.8288(2) Å, β = 106.986(2)°, V = 1297.37(4) Å 3 , Z = 4, R gt ( F ) = 0.0440, wR ref ( F 2 ) = 0.1226, T = 220(1) K.
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The crystal structure of actarit, C₁₀H₁₁NO₃

April 15, 2025

Fengfeng Wang, Xu Lu, Qiqi Mao, Xiaowen Hu, Yang Liu

Page range: 515-516

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C 10 H 11 NO 3 , orthorhombic, Pbca (no. 61), a = 13.3367(3) Å, b = 7.8091(2) Å, c = 18.7826(3) Å, V = 1956.16(7) Å 3 , Z = 4, R gt ( F ) = 0.0393, wR ref ( F 2 ) = 0.1131, T = 297 K.
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The crystal structure of bicyclol, C₁₉H₁₈O₉

April 15, 2025

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

Page range: 517-518

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C 19 H 18 O 9 , monoclinic, P 2 1 / c (no. 14), a = 8.82839(18) Å, b = 15.3431(3) Å, c = 13.4413(3) Å, β = 97.3429(18)°, V = 1805.76(6) Å 3 , Z = 4, R gt ( F ) = 0.0399, wR ref ( F 2 ) = 0.1167, T = 297 K.
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The crystal structure of topiroxostat, C₁₃H₈N₆

April 15, 2025

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

Page range: 519-520

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C 13 H 8 N 6 , monoclinic, P 2 1 / c (no. 14), a = 7.34720(10) Å, b = 12.9562(3) Å, c = 12.1399(2) Å, β = 97.071(2)°, V = 1146.83(4) Å 3 , Z = 4, R gt ( F ) = 0.0438, w R ref ( F 2 ) = 0.1169, T = 297 K.
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Crystal structure of 2,2-dichloro-N-methyl-N-(4-p-tolylthiazol-2-yl)acetamide, C₁₃H₁₂Cl₂N₂OS

April 15, 2025

Dong Xiang-Nan, Li Ming-Xiang, Zhou Cheng, Lu Wan, Li Ying-Jiao

Page range: 521-522

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C 13 H 12 Cl 2 N 2 OS, orthorhombic, Pna 2 1 (no. 33), a = 30.2415(19) Å, b = 6.0253(4) Å, c = 7.8933(6) Å, V = 1438.27(17) Å 3 , Z = 4, R gt ( F ) = 0.0428, wR ref ( F 2 ) = 0.1046, T = 285 K.
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Crystal structure of 4-(trifluoromethyl)-7-coumarinyl trifluoromethanesulfonate C₁₁H₄F₆O₅S

April 24, 2025

Xiaozhuan Qin, Yuling Li, Ruixia Song, Linna Wang, Bobo Ye

Page range: 523-526

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C 11 H 4 F 6 O 5 S, triclinic, P 1̄ (no. 2), a = 8.7997(4) Å, b = 12.6338(4) Å, c = 12.9238(5) Å, α = 109.674(3)°, β = 95.183(3)°, γ = 98.301(3)°; V = 1323.77(9) Å 3 , Z = 4, R gt ( F ) = 0.0449, wR ref ( F 2 ) = 0.1294, T = 298 K.
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Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ⁶O⁶)-((Z)-N,N′-bis(2-(dimethylamino)phenyl)carbamimidato-κ¹N)potassium(I)

April 24, 2025

Dabeen Hong, Kyounghoon Lee

Page range: 527-528

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C 29 H 45 KN 4 O 7 , P 2 1 /c (no. 14), a = 9.0016(2) Å, b = 23.5942(7) Å, c = 14.9186(4)Å, β = 102.509(1), V = 3093.28(14) Å 3 , R gt = 0.049, wR ref = 1270, T = 100K.
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Crystal structure of (Z)-2-(5-((4-(dimethylamino)naphthalen-1-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, C₁₈H₁₆N₂O₃S₂

April 24, 2025

Yi Li, Bo Tan

Page range: 529-530

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C 18 H 16 N 2 O 3 S 2 , Monoclinic, P 2 1 (no. 4), a = 12.3018(15) Å, b = 5.8113(6) Å, c = 12.7380(12) Å, β = 107.735(4) ∘ , V = 867.36(16) Å 3 , Z = 2, R gt ( F ) = 0.0491, w R ref ( F 2 ) = 0.1055 T = 273.15 K. The molecular structure is shown in the figure. Table 1 contains the crystallographic data. The list of the atoms including atomic coordinates and displacement parameters can be found in the cif-file attached to this article.
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Crystal structure of (4-fluorobenzyl)triphenylphosphonium bromide, C₂₅H₂₁BrFP

April 15, 2025

Shuxin Liu, Xinyao Tian, Zilong Qiu, Liguo Li, Xiuhua Li

Page range: 531-532

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C 25 H 21 BrFP, monoclinic, P 2 1 / n (no. 14), a = 9.6550(2) Å, b = 14.0446(3) Å, c = 16.0765(2) Å, β = 99.634(1) ∘ , V = 2149.24(7) Å 3 , Z = 4, R gt ( F ) = 0.0425, wR ref ( F 2 ) = 0.1162, T = 301.5(10) K.
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The crystal structure of dichlorido-[6-(pyridin-2-yl)phenanthridine-κ²N, N′]zinc(II)-chloroform (1/1), C₁₉H₁₃N₂ZnCl₅

April 23, 2025

Ban Tan, Ze-Yang Lai, Hai-Ping Wang

Page range: 533-534

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C 19 H 13 N 2 ZnCl 5 , monoclinic, I 2/ a , a = 15.2859(2) Å, b = 14.7894(1) Å, c = 18.0569(2) Å, β = 97.311(1)°, V = 4048.92(8) Å 3 , Z = 8, R gt ( F ) = 0.0260, wR ref ( F 2 ) = 0.0722, T = 296 K.
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Crystal structure of (E)-(3-(2,4-dichlorophenyl)acryloyl)ferrocene, C₁₉H₁₄Cl₂FeO

April 15, 2025

Shuang Zhang, Jie Gao, Juanjuan Wen, Yanrong Gao, Bin Liu

Page range: 535-536

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C 19 H 14 Cl 2 FeO, monoclinic, P 2 1/ n (no. 14), a = 7.3383(5) Å, b = 10.1441(6) Å, c = 21.4807(12) Å, α = 90 Å, β = 91.649(2) Å, γ = 90 Å, V = 1,598.37(17) Å 3 , Z = 4, R gt ( F ) = 0.0443 wR ref ( F 2 ) = 0.1132, T = 183 K. The molecular structure is shown in the figure. Table 1 contains the crystallographic data. The list of the atoms including atomic coordinates and displacement parameters can be found in the cif-file attached to this article.
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The crystal structure of (E)-7-chloro-1-cyclopropyl-6-fluoro-3-((2-hydroxybenzylidene)amino)quinolin-4(1H)-one, C₁₉H₁₄ClFN₂O₂

April 18, 2025

Iman M. Ibrahim, Kamrul Hasan, Urmila Ravi, Raed A. Al-Qawasmeh, Monther A. Khanfar

Page range: 537-539

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C 19 H 14 ClFN 2 O 2 , triclinic, P 1 ‾ $\bar{1}$ (no. 2), a = 8.9893(3) Å, b = 9.5324(3) Å, c = 10.1917(4) Å, α = 95.1780(10)°, β = 96.5320(1)°, γ = 116.3930(10)°, V = 767.42(5) Å 3 , Z = 2, R gt ( F ) = 0.0355, wR ref ( F 2 ) = 0.0966, T = 100(2) K.
Open Access
Crystal structure of 2-bromo-11-(((fluoromethyl)sulfonyl)methyl)-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, C₁₆H₁₃BrFNO₄S₂

April 24, 2025

Wenhui Wu, Kun Xiao, Ji Wang, Qingchun Guo, Xiaoping Gao, Yaxian Qiu

Page range: 541-542

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C 16 H 13 BrFNO 4 S 2 , monoclinic, P 2 1 / c (no. 14), a = 9.1629(2) Å, b = 17.9824(4) Å, c = 10.3488(2) Å, β = 95.501(1)°, V = 1697.33(6) Å 3 , Z = 4, R gt ( F ) = 0.0331, wR ref ( F 2 ) = 0.0804, T = 150 K.
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Crystal structure of 2-chloro-11-(((fluoromethyl)sulfonyl)methyl)-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, C₁₆H₁₃ClFNO₄S₂

April 24, 2025

Shaoyan Fu, Hongqian Liu, Yanrong Gao, Ji Wang, Wenqiang Tang

Page range: 543-544

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C 16 H 13 ClFNO 4 S 2 , monoclinic, P 2 1 / c (no. 14), a = 8.9984(2) Å, b = 18.0668(6) Å, c = 10.3178(3) Å, β = 95.5070(10)°, V = 1669.65(8) Å 3 , Z = 4, R gt ( F ) = 0.0405 wR ref ( F 2 ) = 0.1048, T = 150 K.
Open Access
Crystal structure of 5-(2,2-difluoropropyl)-5-methyl-6-oxo-5,6-dihydrobenzo[4,5]imidazo[2,1-a]isoquinoline-3-carbonitrile, C₂₀H₁₅F₂N₃O

April 24, 2025

Hongqian Liu, Hongmei Liu, Shaoyan Fu, Wenqiang Tang

Page range: 545-547

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C 20 H 15 F 2 N 3 O, monoclinic, P 2 1 / c (no. 14), a = 7.2737(2) Å, b = 9.5461(3) Å, c = 24.0298(8) Å, β = 91.5320(10)°, V = 1,667.92(9) Å 3 , Z = 4, R gt ( F ) = 0.0459, wR ref ( F 2 ) = 0.1164, T = 150 K.

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