Volume 237, Issue 5

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

August 24, 2022

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New Crystal Structures
Open Access
The crystal structure of 3-(1-(2-((5-methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4-dione, C₁₇H₁₄N₂O₃S

June 21, 2022

Niko S. Radulović, Dragana M. Sejmanović, Milenko N. Ristić, Vidoslav S. Dekić, Biljana Krüger, Volker Kahlenberg, Marko V. Rodić

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C 17 H 14 N 2 O 3 S, monoclinic, P 2 1 / c (no. 14), a = 9.8966(5) Å, b = 9.4360(4) Å, c = 16.7115(7) Å, β = 92.245(4)°, V = 1559.39(12) Å 3 , Z = 4, R gt ( F ) = 0.0358, wR ref ( F 2 ) = 0.1013, T = 170 K.
Open Access
Crystal structure of chlorido-(η ⁶-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ² N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C₂₂H₂₆ClN₂ORuPF₆

June 21, 2022

Joel M. Gichumbi, Sizwe J. Zamisa, Holger B. Friedrich

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C 22 H 26 ClN 2 ORuPF 6 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 10.2106(4) Å, b = 10.8139(4) Å, c = 11.1963(4) Å, α = 93.765(2)°, β = 90.418(1)°, γ = 94.324(2)°, V = 1229.98(8) Å 3 , Z = 2, R gt ( F ) = 0.0251, wR ref ( F 2 ) = 0.0683, T = 100 K.
Open Access
Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C₃₀H₃₃N₆O₂Cl

June 21, 2022

Han Yao, Ming Yan, Xingshu Li, Jinhui Hu

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C 30 H 33 N 6 O 2 Cl monoclinic, P 2 1 (no. 4), a = 13.7983(8) Å, b = 7.3771(3) Å, c = 14.3578(7) Å, β = 101.730(5)°, V = 1430.97(12) Å 3 , Z = 2, R gt ( F ) = 0.0525, wR ref ( F 2 ) = 0.1285, T = 170 K.
Open Access
The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C₁₃H₉Cl₂N₃O₂

July 5, 2022

Jian-Liang Zhu, Xing-Hai Liu

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C 13 H 9 Cl 2 N 3 O 2 , monoclinic, P 2 1 / n (no. 14), a = 7.918(2) Å, b = 12.766(3) Å, c = 13.767(4) Å, β = 103.413(9)°, V = 1353.6(6) Å 3 , Z = 4, R gt ( F ) = 0.0382, wR ref ( F 2 ) = 0.1019, T = 296(2) K.
Open Access
Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C₃₀H₃₂N₁₀O₃

July 6, 2022

Zhi-Qiang Song, Ying-Jie Hou, Hai-Yang Sun, Qi-Di Zhong

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C 30 H 32 N 10 O 3 , monoclinic, P 2 1 / c (no. 14), a = 10.447(2) Å, b = 20.130(4) Å, c = 14.772(3) Å, β = 113.001(3)°, V = 2859.7(10) Å 3 , Z = 4, R gt ( F ) = 0.0556, wR ref ( F 2 ) = 0.1663, T = 296 K.
Open Access
Crystal structure of di-μ₂-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k² N,O) diiron(III) trihydrate C₂₈H₃₂Fe₂N₄O₁₃

July 5, 2022

Hong-Meng Cui

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C 28 H 32 Fe 2 N 4 O 13 , monoclinic, P 2/ n (no. 13), a = 8.0964(3) Å, b = 13.4889(5) Å, c = 14.0543(5) Å, β = 95.190(3)°, V = 1528.60(10) Å 3 , Z = 2, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.0972, T = 173(2) K.
Open Access
Crystal structure of catena-poly[qua-(μ₂-2-aminoisophthalat-κ³ O,O′:O′′)(1,10-phenanthroline-κ² N,N′)manganese(II)] C₂₀H₁₅MnN₃O₅

July 5, 2022

Guang Huang, Xinyun Chen

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C 20 H 15 MnN 3 O 5 , monoclinic, P 2 1 / c (no. 14), a = 10.0223(5) Å, b = 9.3406(5) Å, c = 18.6978(10) Å, β = 99.322(6)°, V = 1727.27(16) Å 3 , Z = 4, R gt ( F ) = 0.0376, w R ref ( F 2 ) = 0.0873, T = 250 K.
Open Access
Crystal structure of poly[(bis(isothiocyano)-bis(μ ₂-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C₃₆H₄₄FeN₁₀O₈S₂

July 4, 2022

Hong-Meng Cui

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C 36 H 44 FeN 10 O 8 S 2 , monoclinic, P 2 1 / c (no. 14), a = 8.7712(5) Å, b = 24.6087(12) Å, c = 9.6083(4) Å, β = 96.952(5)°, V = 2058.68(18) Å 3 , Z = 2, R gt ( F ) = 0.0664, wR ref ( F 2 ) = 0.1318, T = 173(2) K.
Open Access
Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C₁₆H₁₅ClN₂O₃

June 29, 2022

Zhaoyan Li

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C 16 H 15 ClN 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 4.9561(17) Å, b = 31.458(11) Å, c = 9.764(3) Å, β = 93.581(6)°, V = 1519.3(9) Å 3 , Z = 4, R gt ( F ) = 0.0497, wR ref ( F 2 ) = 0.1359, T = 296(2) K.
Open Access
Crystal structure of bis(μ2-benzoato-k²O:O′)-bis(μ2-benzoato-k³O,O′:O′)dinitrato-k²O,O′-bis(phenanthroline-k² N,N′)dierbium(III), C₅₂H₃₆Er₂N₆O₁₄

July 6, 2022

Zhang Li, Yu Hai-yan, Wang Ying-lei, Li Ru-lin, Cao Ying-han

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C 52 H 36 Er 2 N 6 O 14 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 10.6499(5) Å, b = 11.0111(5) Å, c = 11.0380(6) Å, α = 85.030(4)°, β = 81.502(4)°, γ = 68.925(4)°, V = 1193.77(11) Å 3 , Z = 2, R gt ( F ) = 0.0263, wR ref ( F 2 ) = 0.0592, T = 150.0 K.
Open Access
Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C₁₄H₁₂N₄O₃S

July 5, 2022

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

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C 14 H 12 N 4 O 3 S, monoclinic, P 2 1 / n (no. 14), a = 12.2777(3) Å, b = 9.4312(2) Å, c = 12.9412(2) Å, β = 107.945(2)°, V = 1425.61(5) Å 3 , Z = 4, R gt ( F ) = 0.0305, wR ref ( F 2 ) = 0.0837, T = 160 K.
Open Access
Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C₂₇H₃₉NO

July 7, 2022

Wen-Wen Zhang, Jiang-Hai Ye, Juan Zou, Kang He

Page range: 815-817

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C 27 H 39 NO, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 10.5248(7) Å, b = 12.6248(7) Å, c = 16.8913(9) Å, V = 2244.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0435, wR ref ( F 2 ) = 0.1033, T = 173(2) K.
Open Access
Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C₁₂H₁₆Br₂

July 5, 2022

Wenqi Song, Mingxu Zhao, Yanfang Zhu, Jianjing Gao, Yuzhen Zhao

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C 12 H 16 Br 2 , monoclinic, P 2 1 / c (no. 14), a = 7.9423(5) Å, b = 4.4163(3) Å, c = 16.8127(10) Å, β = 94.534(4)°, V = 587.87(6) Å 3 , Z = 2, R gt ( F ) = 0.0376, wR ref ( F 2 ) = 0.1016, T = 173 K.
Open Access
Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C₁₈H₁₈N₄O₅

July 5, 2022

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

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C 18 H 18 N 4 O 5 , monoclinic, P 2 1 / c (no. 14), a = 11.7553(8) Å, b = 6.4876(4) Å, c = 22.3442(15) Å, β = 91.263(7)°, V = 1703.64(19) Å 3 , Z = 4, R gt ( F ) = 0.0531, wR ref ( F 2 ) = 0.1376, T = 160 K.
Open Access
Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C₁₅H₁₅N₃O₄

July 5, 2022

Xin Deng, Zhijian Zhang

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C 15 H 15 N 3 O 4 , monoclinic, P 2 1 / c (no. 14), a = 13.5787(12) Å, b = 6.5393(5) Å, c = 16.3645(14) Å, β = 94.598(8)°, V = 1448.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0465, w R ref ( F 2 ) = 0.1106, T = 149.99(10) K.
Open Access
The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C₂₅H₂₃BrO₂

July 4, 2022

Wanxing Liu, Yifan Dai, Guodong Shen

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C 25 H 23 BrO 2 , monoclinic, P 2 1 / c (no. 14), a = 9.6229(7) Å, b = 21.7953(16) Å, c = 10.9104(6) Å, β = 109.330(7)°, V = 2159.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0499, wR ref ( F 2 ) = 0.1385, T = 293 K.
Open Access
Crystal structure of catena-poly[(μ ₂-4,4′-bipyridine-κ² N:N′)-bis(4-bromobenzoato-κ¹ O)zinc(II)], C₂₄H₁₆Br₂N₂O₄Zn

July 4, 2022

Xiuyan Yang, Yingchun Luo

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C 24 H 16 Br 2 N 2 O 4 Zn, monoclinic, I 2/ a (no. 15), a = 7.4191(9) Å, b = 24.458(3) Å, c = 25.810(3) Å, β = 92.426(3)°, V = 4679.2(10) Å 3 , Z = 8, R gt ( F ) = 0.0514, wR ref ( F 2 ) = 0.1710, T = 296(2) K.
Open Access
Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ² S:S)zinc(II), C₂₀H₁₄N₆ZnS₄

July 5, 2022

Xue-Guo Liu, Wan-Yao Chen

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C 20 H 14 N 6 ZnS 4 , monoclinic, C 2/ c (no. 15), a = 8.5063(13) Å, b = 12.3254(19) Å, c = 21.843(3) Å, β = 96.550(2)°, V = 2275.1(6) Å 3 , Z = 4, R gt ( F ) = 0.0288, wR ref ( F 2 ) = 0.0751, T = 293(2) K.
Open Access
Crystal structure of pentacarbonyl-(μ₂-propane-1,3-dithiolato-κ⁴ S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ¹ P)diiron (Fe-Fe), C₂₇H₂₃Fe₂O₅PS₂

July 14, 2022

Lu-Yan Bi, Xu-Feng Liu

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C 27 H 23 Fe 2 O 5 PS 2 , monoclinic, P 2 1 / c (no. 14), a = 15.4423(7) Å, b = 9.8615(5) Å, c = 18.0727(8) Å, β = 90.0380(10)°, V = 2752.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0296, wR ref ( F 2 ) = 0.0703, T = 296(2) K.
Open Access
The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C₁₄H₁₅N₃O₆

July 14, 2022

Cheng-Jun Jiang, Ying-Fan Xia, Yan-Song Xie

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C 14 H 15 N 3 O 6 , monoclinic, C 2/ c (no. 15), a = 30.1620(13) Å, b = 3.8559(2) Å, c = 27.3897(13) Å, β = 117.610(4)°, V = 2822.7(3) Å 3 , Z = 8, R gt ( F ) = 0.0332, wR ref ( F 2 ) = 0.0904, T = 170 K.
Open Access
The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ¹ N)zinc(II), C₃₀H₃₄Cl₄N₈Zn

July 15, 2022

Hui-Jin Liu

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C 30 H 34 Cl 4 N 8 Zn, orthorhombic, Pca 2 1 (no. 29), a = 20.235(2) Å, b = 6.5462(8) Å, c = 27.386(3) Å, V = 3627.6(7) Å 3 , Z = 4, R gt ( F ) = 0.0477, wR ref ( F 2 ) = 0.1128, T = 293(2) K.
Open Access
Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C₁₂H₁₅N₇O₃

July 12, 2022

Madeline Christabel, Ruixue Zhou, Tianhao Yan, Haifei Zhang, Lifeng Ding, Ruiyao Wang

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C 12 H 15 N 7 O 3 , P 2 1 / c (no. 14), a = 7.1782(3) Å, b = 16.6800(6) Å, c = 12.1070(5) Å, β = 92.030(2)°, V = 1448.69(10) Å 3 , Z = 4, R gt ( F ) = 0.0449, wR ref ( F 2 ) = 0.1220, T = 296(2) K.
Open Access
The crystal structure of methyl 4-((3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl) benzoate, C₂₃H₂₈O₃

August 2, 2022

Pengda Zhai, Hui Guan, Junna Wang, Yongkang Zhang, Haixia Wu, Yifan Jia, Siye Li, Juchuan Shan, Yue Ding

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C 23 H 28 O 3 , monoclinic, P 2 1 / n (no. 14), a = 7.3985 (2) Å, b = 16.6978 (5) Å, c = 16.5137 (5) Å, β = 96.699(3)°, V = 2026.15 (10) Å 3 , Z = 4, R gt ( F ) = 0.0428, wR ref ( F 2 ) = 0.1116, T = 90 K.
Open Access
Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ ² N:N)-(nitrato-κ ² O:O′) silver(I), C₉H₈AgN₇O₃

July 18, 2022

Jing Yang, Xin-Ling Wang, Jun-Ya Du, Ning Song

Page range: 861-863

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C 9 H 8 AgN 7 O 3 , monoclinic, P 2 1 / c (no. 14), a = 8.3179(3) Å, b = 16.6800(5) Å, c = 9.0138(3) Å, β = 103.839(4)°, Z = 4, V = 1214.30(7) Å 3 , R gt ( F ) = 0.0423, w R ref ( F 2 ) = 0.1065, T = 293(2) K.
Open Access
Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k¹ N]cadmium(II), C₁₈H₂₀CdN₆O₈

July 13, 2022

Yi-Min Feng, Yu-Pei Xia

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C 18 H 20 CdN 6 O 8 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 6.1132(7) Å, b = 7.1270(9) Å, c = 12.3110(13) Å, α = 80.7010(10)°, β = 88.137(2)°, γ = 73.6530(10)°, V = 507.88(10) Å 3 , Z = 1, R gt ( F ) = 0.0285, w R ref ( F 2 ) = 0.0744, T = 298(2) K.
Open Access
The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ²N,O)nickel(II) dihydrate, C₁₄H₁₆N₆O₈Ni

July 13, 2022

Deng-Feng Hong, Meng-Fei Li, Tian-Tian Chu

Page range: 867-868

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C 14 H 16 N 6 O 8 Ni, monoclinic, P 2 1 / n (no. 14), a = 6.3975(3) Å, b = 11.6712(5) Å, c = 11.7199(5) Å, β = 96.677(4)°, V = 869.15(7) Å 3 , Z = 2, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0789, T = 291 K.
Open Access
Crystal structure of poly[μ₂-aqua-aqua-(μ₂-1,3-di(1H-imidazol-1-yl)propane-κ² N:N′)-(μ₂-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ² O:O′)-(μ₄-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ⁵ O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C₄₄H₄₃N₁₁O₁₂Co₂

July 15, 2022

Qin Wang, Jia-Hao Gao, Sheng-Rui Zhang, Yan-Hong Gao, Jiu-Fu Lu

Page range: 869-872

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C 44 H 43 N 11 O 12 Co 2 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 10.7333(11) Å, b = 13.6796(11) Å, c = 16.751(2) Å, α = 113.982(2)°, β = 90.578(2)°, γ = 105.7310(10)°, V = 2142.7(4) Å 3 , Z = 2, R gt ( F ) = 0.0460, w R ref ( F 2 ) = 0.1015, T = 296(2) K.
Open Access
Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C₆₀H₅₄ClN₁₁O₂

July 14, 2022

Ruixue Zhou, Tianhao Yan, Hongbo Wang, Haifei Zhang, Lifeng Ding, Ruiyao Wang

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C 60 H 54 ClN 11 O 2 , P 1 ‾ $\overline{1}$ (no. 2), a = 9.6795(10) Å, b = 14.8391(12) Å, c = 18.0298(14) Å, α = 90.710(3)°, β = 92.506(3)°, γ = 96.274(3)°, V = 2571.4(4) Å 3 , Z = 2, R gt ( F ) = 0.0856, wR ref ( F 2 ) = 0.2386, T = 296(2) K.
Open Access
The crystal structure of Chrysosplenol D, C₁₈H₁₆O₈

August 3, 2022

Yijv Li, Nengwu Zhao, Jianghai Ye, Fangfang Xu, Shuntong Luo, Tianqiong Lang

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C 18 H 16 O 8 , monoclinic, P 2 1 / n (no. 14), a = 14.5762(6) Å, b = 6.6791(3) Å, c = 17.4240(7) Å, β = 103.5820(10)°, V = 1648.89(12) Å 3 , Z = 4, R gt ( F ) = 0.0436, wR ref ( F 2 ) = 0.1218, T = 293(2) K.
Open Access
Crystal structure of poly[deca aqua-bis(μ ₄-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ ₅-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C₄₄H₄₂Mn₅N₁₂O₃₆

July 21, 2022

Yan-Yan An, Juan-Zhi Yan, Dan Zhan

Page range: 881-883

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C 44 H 42 Mn 5 N 12 O 36 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.6398(7) Å, b = 9.9043(5) Å, c = 20.1160(13) Å, α = 87.300(5)°, β = 81.868(6)°, γ = 67.555(7)°, V = 1392.62(18) Å 3 , Z = 1, R gt ( F ) = 0.0554, w R ref ( F 2 ) = 0.1446, T = 293(2) K.
Open Access
Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C₂₀H₂₄N₂O₂

August 2, 2022

Ji-Xing Zhao, Xiao-Jun Wang

Page range: 885-887

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C 20 H 24 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 14.5088(4) Å, b = 17.4849(6) Å, c = 7.1398(2) Å, β = 97.933(1)°, Z = 4, V = 1793.93(9) Å 3 , R gt ( F ) = 0.0561, wR ref ( F 2 ) = 0.1596, T = 173 K.
Open Access
The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C₁₄H₆N₈O₁₄Cl₂

August 11, 2022

Li Xiao, Jin GuoLiang, He JinFeng, Zhang JiHui, Chen Lizhen, Wang JianLong

Page range: 889-891

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C 14 H 6 N 8 O 14 Cl 2 , orthorhombic, Fdd 2 (no. 43), a = 21.2891(12) Å, b = 39.532(3) Å, c = 5.1686(3) Å, V = 4349.9(4) Å 3 , Z = 8, R gt ( F ) = 0.0469, w R ref ( F 2 ) = 0.1051, T = 140 K.
Open Access
Crystal structure of N ²,N ⁴-dimesitylpentane-2,4-diamine, C₂₃H₃₄N₂

August 2, 2022

Christoph Wallach, Wilhelm Klein, Thomas F. Fässler

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C 23 H 34 N 2 , monoclinic, C 2/ c (no. 15), a = 15.2448(11) Å, b = 8.2189(5) Å, c = 16.7350(16) Å, β = 103.133(7)°, V = 2042.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0438, wR ref ( F 2 ) = 0.1277, T = 150 K.
Open Access
Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ ⁶O₆)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH₃C₆H₄)NH(CH₂)₂N(o-CH₃C₆H₄) 3.5 NH₃, C₂₈H_53.5KN_5.5O₆

August 8, 2022

Christoph Wallach, Wilhelm Klein, Thomas F. Fässler

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C 28 H 53.5 KN 5.5 O 6 , monoclinic, Pc (no. 7), a = 18.7986(12) Å, b = 8.3431(6) Å, c = 22.4638(16) Å, β = 100.554(5)°, V = 3463.6(4) Å 3 , Z = 4, R gt ( F ) = 0.0712, wR ref ( F 2 ) = 0.2226, T = 150 K.
Open Access
The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C₂₅H₃₀Cl₄N₆O₆

August 3, 2022

An Zhan, E. Liu, Fangfang Jian, Tongling Liang

Page range: 903-905

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C 25 H 30 Cl 4 N 6 O 6 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.2652(2) Å, b = 11.7642(3) Å, c = 14.6692(4) Å, α = 106.929(2)°, β = 99.753(2)°, γ = 98.675(2)°, V = 1473.15(7) Å 3 , Z = 2, R gt ( F ) = 0.0292, wR ref ( F 2 ) = 0.0839, T = 170 K.
Open Access
Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₁₉H₁₇BrO₃

August 3, 2022

Yu-Long Zhang, Shu-Lian Liu, Gui-Ge Hou, Lei Wang, Xiao-Fan Zhang

Page range: 907-909

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C 19 H 17 BrO 3 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 8.2887(7) Å, b = 8.4190(12) Å, c = 13.1164(15) Å, α = 93.634(11)°, β = 90.609(9)°, γ = 118.201(11)°, V = 804.17(18) Å 3 , Z = 2, R gt ( F ) = 0.0738, wR ref ( F 2 ) = 0.1614, T = 150 K.
Open Access
Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C₁₅H₁₃ClN₂O₃

August 10, 2022

Zhaoyan Li

Page range: 911-912

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C 15 H 13 ClN 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 4.9709(11) Å, b = 31.691(7) Å, c = 8.512(2) Å, β = 92.376(4)°, V = 1339.8(5) Å 3 , Z = 4, R gt ( F ) = 0.0559, wR ref ( F 2 ) = 0.1676, T = 296(2) K.
Open Access
{2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ³ N,N′,O}iron(III) nitrate, C₁₈H₂₀Br₂FeN₅O₅

August 2, 2022

Guojun Yu, Jiao Yang, Qiuling Yang, Qiong Wu

Page range: 913-915

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C 18 H 20 Br 2 FeN 5 O 5 , monoclinic, P 2 1 / c (no. 14), a = 12.4534(3) Å, b = 10.8106(3) Å, c = 16.0339(4) Å, β = 94.0450(10)°, V = 2153.25(10) Å 3 , Z = 4, R gt ( F ) = 0276, wR ref ( F 2 ) = 0.0644, T = 170.0 K.
Open Access
Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C₁₉H₁₈O₂

August 8, 2022

Chongyu Li

Page range: 917-919

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C 19 H 18 O 2 , orthorhombic, Pbca (no. 61), a = 11.017(5) Å, b = 12.140(5) Å, c = 23.346(10) Å, V = 3122(2) Å 3 , Z = 8, R gt (F) = 0.0498, wR ref (F 2 ) = 0.1450, T = 296(2) K.
Open Access
Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C₃₂H₃₀N₄O₈

August 2, 2022

Zhi-Qiang Lu

Page range: 921-922

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C 32 H 30 N 4 O 8 , monoclinic, P 2 1 / c (no. 14), a = 9.4698(10) Å, b = 10.9797(12) Å, c = 14.0366(15) Å, β = 96.807(1)°, V = 1449.2(3) Å 3 , Z = 2, R gt ( F ) = 0.0392, ωR ref ( F 2 ) = 0.1087, T = 293(2) K.
Open Access
Crystal structure of N ²,N ⁶-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C₄₁H₂₉N₅O₂

August 3, 2022

Wen-Ze Zhao

Page range: 923-925

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C 41 H 29 N 5 O 2 , monoclinic, P 2 1 / c (no. 14), a = 12.4919(10) Å, b = 19.4010(15) Å, c = 13.2741(11) Å, β = 103.319(2)°, V = 3130.5(4) Å 3 , Z = 4, R gt ( F ) = 0.0557, wR ref ( F 2 ) = 0.1746, T = 293(2) K.
Open Access
The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C₅H₅O₆N₉

August 8, 2022

Zhao Huipeng, Lian Pengbao, Yan Yumin, Chen Lizhen, Wang Jianlong

Page range: 927-928

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C 5 H 5 O 6 N 9 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.6068(2) Å, b = 10.0191(4) Å, c = 18.3799(8) Å, V = 1032.49(7) Å 3 , Z = 4, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0776, T = 140 K, β = 90.
Open Access
Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C₂₆H₂₀Cl₂N₆O₄

August 4, 2022

Jian-Ying Tong, Na-Bo Sun, Liang Han, Xing-Hai Liu

Page range: 929-931

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C 26 H 20 Cl 2 N 6 O 4 , orthorhombic, Pbca (no. 61), a = 7.7316(6) Å, b = 24.8021(19) Å, c = 26.074(2) Å, V = 4999.9(7) Å 3 , Z = 8, R gt ( F ) = 0.0674, wR ref ( F 2 ) = 0.1625, T = 296(2) K.
Open Access
The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C₄₀H₃₂N₂O₁₂

August 3, 2022

Gui-Lin Cheng, Cheng-Jun Jiang, Ying-Fan Xia

Page range: 933-935

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C 40 H 32 N 2 O 12 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.403(3) Å, b = 8.275(3) Å, c = 14.571(4) Å, α = 106.115(15)°, β = 98.239(16)°, γ = 95.054(19)°, V = 840.9(5) Å 3 , Z = 1, R gt ( F ) = 0.0353, w R ref ( F 2 ) = 0.0980, T = 170 K.
Open Access
Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C₂₀H₂₂F₂N₂O₄

August 4, 2022

Ji-Xing Zhao, Xiao-Jun Wang

Page range: 937-938

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C 20 H 22 F 2 N 2 O 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 4.7005(2) Å, b = 10.2279(3) Å, c = 10.9917(3) Å, α = 63.1510(10)°, β = 83.369(2)°, γ = 83.014(2)°, V = 466.88(3) Å 3 , Z = 1, R gt ( F ) = 0.0361, wR ref ( F 2 ) = 0.1018, T = 173.0 K.
Open Access
Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C₁₂H₁₀N₂O₆

August 4, 2022

Wu-Wu Li, Min-Yan Zheng, Ning-Ning Han, Meng Yang, Jiao Li, Sha-Sha Cao

Page range: 939-940

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C 12 H 10 N 2 O 6 , monoclinic, P 2 1 / c (no. 14), a = 14.6017(10) Å, b = 6.8095(4) Å, c = 13.0101(8) Å, β = 113.075(7)°, V = 1190.10(14) Å 3 , Z = 4, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.0976, T = 293 K.
Open Access
The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C₁₅H₁₃BrO₂

August 8, 2022

Bofan Xu, Yuxing Ren, Zhenyu Zuo

Page range: 941-943

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C 15 H 13 BrO 2 , monoclinic, P 2 1 / c (no. 14), a = 5.6574(9) Å, b = 9.7821(16) Å, c = 24.251(4) Å, β = 93.265(4)°, V = 1339.9(4) Å 3 , Z = 4, R gt ( F ) = 0.0428, wR ref ( F 2 ) = 0.0930, T = 273 K.
Open Access
Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₁₈H₁₅BrO₂

August 4, 2022

Yu-Long Zhang, Shu-Lian Liu, Gui-Ge Hou, Xiao-Fan Zhang, Lei Wang, Wen-Yu Xin

Page range: 945-947

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C 18 H 15 BrO 2 , monoclinic, P 2 1 / n (no. 14), a = 9.1704(9) Å, b = 16.5309(13) Å, c = 10.3528(12) Å, β = 112.368(12)°, V = 1451.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.0677, T = 149.99(10) K.
Open Access
Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ ¹ N)cadmium(II), C₆₀H₆₈O₄N₁₂Cl₁₀Cd

August 11, 2022

Yanjun Zhang, Mei Li

Page range: 949-951

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C 60 H 68 O 4 N 12 Cl 10 Cd, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 8.9686(15) Å, b = 13.554(2) Å, c = 15.365(3) Å, α = 92.113(3)°, β = 99.047(3)°, γ = 106.492(3)°, V = 1762.1(5) Å 3 , Z = 1, R gt ( F ) = 0.0436, wR ref ( F 2 ) = 0.1130, T = 296(2) K.
Open Access
Crystal structure of diaqua-diphenanthroline-κ² N,N′-bis(μ₂-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ² O:O′)-bis(μ₂-tetrafluorophthalato-κ³ O,O′:O′)didysprosium(III) – phenanthroline (1/2), C₈₀H₃₈Dy₂F₁₆N₈O₁₈

August 11, 2022

Xiao-Yu Zhang, Bei-Bei Zhao, Shi-Jie Huang, Jun-Ya Song, Xin-Fang Liu

Page range: 953-955

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C 80 H 38 Dy 2 F 16 N 8 O 18 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 11.3924(5) Å, b = 12.7091(4) Å, c = 13.2583(5) Å, α = 102.496(3)°, β = 97.955(4)°, γ = 105.588(4)°, V = 1765.36(12) Å 3 , Z = 2, R gt ( F ) = 0.0298, wR ref ( F 2 ) = 0.0606, T = 293(2) K.
Open Access
Crystal structure of bis(μ₂-2-oxido-2-phenylacetato-κ³ O,O′:O′)-bis(N-oxido-benzamide-κ² O,O′)-bis(propan-2-olato-κ¹ O)dititanium(IV), C₃₆H₃₈N₂O₁₂Ti₂

August 11, 2022

Yu Youzhu, Wang Hui, Li Leilei, Guo Yuhua, Feng Jing, Li Yichao

Page range: 957-959

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C 36 H 38 N 2 O 12 Ti 2 , monoclinic, P 2 1 / n (no. 14), a = 10.3151(7) Å, b = 15.8747(11) Å, c = 11.5020(8) Å, β = 98.471(3)°, V = 1862.9(2) Å 3 , Z = 2, R gt ( F ) = 0.0386, w R ref ( F 2 ) = 0.1075, T = 296(2) K.
Open Access
Crystal structure of poly[diaqua-(μ₂-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ² O:O′)(μ₂-oxalato-κ⁴O,O:O″,O′″)europium(III)] monohydrate, C₉H₁₀N₃O₉Eu

August 15, 2022

Tian Zhang, Hua Bing Li

Page range: 961-963

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C 9 H 10 N 3 O 9 Eu, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.9645(5) Å, b = 9.2934(6) Å, c = 10.0409(6) Å, α = 66.8554(8)°, β = 72.9671(8)°, γ = 83.4968(9)°, V = 653.41(7) Å 3 , Z = 2, R gt ( F ) = 0.0210, wR ref ( F 2 ) = 0.0522, T = 296(3) K.
Open Access
Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ ₂-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ ₃-oxo)tetratitanium(IV)– isopropanol (1/2), C₃₄H₇₆N₄O₁₆Ti₄

August 12, 2022

Yu Youzhu, Wang Hui, Li Leilei, Guo Yuhua, Fu Qianqian, Dai Jingtao

Page range: 965-967

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C 34 H 76 N 4 O 16 Ti 4 , monoclinic, P 2 1 / n (no. 14), a = 10.0452(6) Å, b = 16.9053(8) Å, c = 14.6374(8) Å, β = 108.029(6)°, V = 2363.6(2) Å 3 , Z = 2, R gt ( F ) = 0.0678, wR ref ( F 2 ) = 0.2126, T = 293(2) K.
Open Access
Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C₁₆H₁₆INO₂

August 12, 2022

Chun-Jie Lv

Page range: 969-970

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C 16 H 16 INO 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.7004(2) Å, b = 6.8909(3) Å, c = 19.6509(8) Å, α = 100.035(4)°, β = 94.465(3)°, γ = 99.447(4)°, V = 745.27(5) Å 3 , Z = 2, R gt ( F ) = 0.0321, wR ref ( F 2 ) = 0.0595, T = 100.15 K.
Open Access
Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C₂₆H₃₄N₂

August 15, 2022

Yingfan Liu, Zhiqiang Zhao

Page range: 971-974

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C 26 H 34 N 2 , orthorhombic, Pbca (no. 61), a = 14.8062(2) Å, b = 15.8918(2) Å, c = 20.0121(3) Å, V = 4708.79(11) Å 3 , Z = 8, R gt ( F ) = 0.0548, wR ref ( F 2 ) = 0.1701, T = 296.2 K.
Open Access
Crystal structure of dimethylammonium poly[μ₄-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ⁶ N,O:O′:N′,O″:O‴) manganese(II)], C₂₂H₂₆MnN₆O₈

August 12, 2022

Yu-Pei Xia, Lu-Lu Han

Page range: 975-976

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C 22 H 26 MnN 6 O 8 , monoclinic, P 2 1 / n (no. 14), a = 11.1483(9) Å, b = 10.5789(8) Å, c = 11.8538(10) Å, β = 115.883(2)°, V = 1257.76(18) Å 3 , Z = 2, R gt ( F ) = 0.0585, wR ref ( F 2 ) = 0.1614, T = 298 K.

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