Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

January 12, 2022

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New Crystal Structures
Open Access
Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-3-yl)methylene)-3, 4-dihydronaphthalen-1(2H)-one, C₁₇H₁₅NO₃

November 3, 2021

Sheng-Nan Zhang, Feng-Lan Zhao, Qing-Guo Meng

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C 17 H 15 NO 3 , monoclinic, P 2 1 / n (no. 14), a = 4.3970(3) Å, b = 13.8942(8) Å, c = 22.0484(14) Å, β = 91.099(6)°, V = 1346.75(15), Z = 4, R gt ( F ) = 0.0412, wR ref ( F 2 ) = 0.1003, T = 150 K.
Open Access
Crystal structure of (E)-7-methoxy-2-((2-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1 (2H)-one, C₁₈H₁₇NO₃

November 3, 2021

Guang-Qun Ma, Feng-Lan Zhao, Qing-Guo Meng

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C 18 H 17 NO 3 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.4638(8) Å, b = 8.0392(8) Å, c = 12.6767(11) Å, α = 108.187(8)°, β = 94.029(7)°, γ = 95.071(8)°, V = 715.95(13) Å 3 , Z = 2, R gt ( F ) = 0.0573, wR ref ( F 2 ) = 0.1460, T = 100.0(2) K.
Open Access
The crystal structure of N ⁶,N ^6′-di(pyridin-2-yl)-[2,2′-bipyridine]-6,6′-diamine, C₂₀H₁₆N₆

November 8, 2021

Yue Sun, Tianyu Yang, Wenxiang Wang

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C 20 H 16 N 6 , monoclinic, P 2 1 / c (no. 14), a = 7.6623(4) Å, b = 11.8206(5) Å, c = 8.8960(4) Å, β = 91.825(2)°, V = 805.33(7) Å 3 , Z = 2, R gt ( F ) = 0.0577, wR ref ( F 2 ) = 0.1588, T = 200(2) K.
Open Access
The crystal structure of {N ¹,N ²-bis[2,4-dimethyl-6-(4-(tert-butyl)phenyl)(phenyl)methyl]acenaphthylene-1,2-diimino-κ² N, N′}-dibromido-nickel(II) – dichloromethane(1/2), C₆₄H₆₄Br₂Cl₄N₂Ni

November 3, 2021

Kun-Peng Guo

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C 64 H 64 Br 2 Cl 4 N 2 Ni, monoclinic, C 2/ c (no. 15), a = 31.9723(18) Å, b = 11.9826(6) Å, c = 18.4722(11) Å, β = 125.038(2)°, V = 5794.4(6) Å 3 , Z = 4, R gt ( F ) = 0.0536, wR ref ( F 2 ) = 0.1640, T = 273.15 K.
Open Access
Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ¹ P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C_25.71H_32.57N_9.86O₁₅P₃S₃Ru₃

November 5, 2021

Wisdom Ebong, Alexandra E. Muniz, David R. Khan, Daniel K. Unruh, Jason C. Yarbrough

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C 25.71 H 32.57 N 9.86 O 15 P 3 S 3 Ru 3 , hexagonal, P 6 3 (no. 173), a = 37.24213(9) Å, b = 37.24213(9) Å, c = 11.64828(3) Å, β = 90°, V = 13,991.40(8) Å 3 , Z = 14, R gt ( F ) = 0.0406, wR ref ( F 2 ) = 0.1009, T = 100(2) K.
Open Access
A new polymorph of 1-(4-nitrophenyl)-1H-benzimidazole (C₁₃H₉N₃O₂)

November 8, 2021

Halliru Ibrahim, Sizwe J. Zamisa, Muhammad D. Bala, Holger B. Friedrich

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C 13 H 9 N 3 O 2 , monoclinic, P 21/ c (no. 14), a = 3.7375(1) Å, b = 27.9680(6) Å, c = 10.2595(2) Å, β = 95.5120(10)°, V = 1067.47(4) Å 3 , Z = 4, R gt ( F ) = 0.0370, wR ref ( F 2 ) = 0.0975, T = 100 K.
Open Access
The crystal structure of 2,2′-((1E,1′E)-(naphthalene-2,3 diylbis(azanylylidene)) bis(methanylylidene))bis(4-methylphenol), C₂₆H₂₂N₂O₂

November 10, 2021

Nqobile Ndlangamandla, Hadley S. Clayton

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C 26 H 22 N 2 O 2 , monoclinic, P 2 1 / n (No. 14), a = 6.2362(2) Å, b = 16.3148(6) Å, c = 20.0521(7) Å, β = 94.308(1)°, V = 2034.38(12) Å 3 , Z = 4, R gt ( F ) = 0.0439, wR ref ( F 2 ) = 0.1088, T = 173 K.
Open Access
The crystal structure of bis(μ₂-iodido)-bis(η⁶-benzene)-bis(iodido)-diosmium(II), C₁₂H₁₂I₄Os₂

November 12, 2021

Kgaugelo C. Tapala, Hadley S. Clayton

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C 12 H 12 I 4 Os 2 , orthorhombic, Pbca (no. 61), a = 11.9720(5) Å, b = 10.4991(4) Å, c = 13.2810(6) Å, V = 1669.36(12) Å 3 , Z = 4, R gt ( F ) = 0.0349, wR ref ( F 2 ) = 0.0848, T = 173(2) K.
Open Access
Redetermination of the crystal structure of bis{hydridotris(3,5-dimethylpyrazol-1-yl-κN ³)borato}copper(II), C₃₀H₄₄B₂CuN₁₂

November 17, 2021

Kiyoshi Fujisawa, Moemi Okamura, Edward R. T. Tiekink

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C 30 H 44 B 2 CuN 12 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.6801(1) Å, b = 10.1688(2) Å, c = 10.7290(2) Å, α = 62.672(2)°, β = 84.3550(10)°, γ = 78.9700(10)°, V = 825.71(3) Å 3 , Z = 1, R gt ( F ) = 0.0318, wR ref ( F 2 ) = 0.0961, T = 178 K.
Open Access
Crystal structure of (E)-3-((4-(tert-butyl)phenyl)thio)-4-hydroxypent-3-en-2-one, C₁₅H₂₀O₂S

November 18, 2021

Le Dong, Ya-Fei Guo, Jun-Ying Ma, Jun-Ling Wang, Shu-Xiao Feng, Hui-Kang Huo

Page range: 37-39

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C 15 H 20 O 2 S, monoclinic, P 2 1 / c (No. 14), a = 12.8520(8) Å, b = 10.5864(8) Å, c = 11.2202(7) Å, β = 104.375(7)°, V = 1478.78(18) Å 3 , Z = 4, R gt ( F ) = 0.0655, wR ref ( F 2 ) = 0.1781, T = 293 K.
Open Access
Crystal structure of 2,2′-(p-tolylazanediyl)bis(1-phenylethan-1-one), C₂₃H₂₁NO₂

November 10, 2021

Yameng Li, Yongquan Xu, Ziwen Zhang, Nan Li, Xiaofan Bai, Jingyu He, Haixia Wu

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C 23 H 21 NO 2 , monoclinic, C 2/ c (no. 15), a = 20.163(3) Å, b = 10.1693(16) Å, c = 8.8032(19) Å, β = 95.992(12)°, V = 1795.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0624, wR ref ( F 2 ) = 0.1411, T = 150 K.
Open Access
Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ₃-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C₇₂H₄₈I₁₂N₂₄Zn₆⋅10(C₆H₅NO₂)

November 10, 2021

Václav Eigner

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C 132 H 98 I 12 N 34 O 20 Zn 6 , monoclinic, P 2 1 c , a = 34.97800(15) Å, b = 15.02541(6) Å, c = 30.13247(12) Å, β = 101.9033(4)°, V = 15,495.86(11) Å 3 , Z = 4, R gt ( F ) = 0.0501, wR ref ( F 2 ) = 0.1329, T = 95 K.
Open Access
Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(6-methylpyridin-2-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C₄₄H₄₅N₅O₂

November 25, 2021

Kaihao Li, Jinping Wu, Hairong Lan, Junmin Wang, Juan Yuan

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C 44 H 45 N 5 O 2 , triclinic P 1 ‾ $P\overline{1}$ (no. 2), a = 11.2140(4) Å, b = 11.9932(5) Å, c = 14.2703(5) Å, α = 98.879(3)°, β = 102.025(3)°, γ = 91.122(3)°, Z = 2, V = 1851.98(12) Å 3 , R gt ( F ) = 0.0549, wR ref ( F 2 ) = 0.1616, T = 293(2) K.
Open Access
Crystal structure of (E)-7-fluoro-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₁₇H₁₂F₂O₁

November 24, 2021

Jia Song, Feng-Lan Zhao, Qi-bao Wang, Qing-Guo Meng

Page range: 55-57

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C 17 H 12 F 2 O 1 , monoclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.3832(8) Å, b = 8.6467(9) Å, c = 11.3278(11) Å, α = 87.633(8)°, β = 88.022(8)°, γ = 65.364(10)°, V = 654.88(13) Å 3 , Z = 2, R gt ( F ) = 0.0369, wR ref ( F 2 ) = 0.0987, T = 293(2) K.
Open Access
Crystal structure of tetrabutylammonium sulfanilate – 1-(diaminomethylene)thiourea (1/2)

November 15, 2021

Duanjie Xu, Baiyan Wang, Xin Zhu

Page range: 59-60

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C 26 H 54 N 10 O 3 S 3 , monoclinic, Pc (no. 7), a = 8.5247(5) Å, b = 10.6658(5) Å, c = 21.2970(10) Å, β = 109.472(2)°, V = 1825.63(16) Å 3 , Z = 2, R gt ( F ) = 0.0366, w R ref ( F 2 ) = 0.0866, T = 298 K.
Open Access
Crystal structure of [2,2′-{azanediyl)bis[(propane-3,1-diyl)(azanylylidene)methylylidene]} bis(3,5-dichlorophenolato)-κ²O,O′]-isothiocyanato-κN-iron(III), C₂₁H₁₉Cl₄FeN₄O₂S

November 17, 2021

Rui Duan, Yu Guojun, Hui Tian, Man Wang, Qiong Wu

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C 21 H 19 Cl 4 FeN 4 O 2 S, monoclinic, P 2 1 / c (no. 14), a = 16.304(2) Å, b = 11.1675(15) Å, c = 14.1041(16) Å, β = 109.322(4)°, V = 2423.3(5) Å 3 , Z = 4, R gt ( F ) = 0.0802, wR ref ( F 2 ) = 0.1769, T = 150.0 K.
Open Access
Crystal structure of (4-chlorophenyl)(4-hydroxyphenyl)methanone, C₁₃H₉ClO₂

November 16, 2021

Xiao-Hui Bai, Yan Xing, Si-Jie Liu

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C 13 H 9 ClO 2 , monoclinic, P 2 1 (No. 4), a = 6.5465(9) Å, b = 8.0647(11) Å, c = 10.8476(15) Å, β = 105.591(3)°, V = 551.63(13) Å 3 , Z = 2, R gt ( F ) = 0.0532, wR ref ( F 2 ) = 0.1507, T = 296(2) K.
Open Access
Crystal structure of 6,6′-((pentane-1,3-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dibromolphenolato-κ⁴ N,N′,O,O′)copper(II),) C₁₉H₁₆Br₄CuN₂O₂

November 17, 2021

Rui Duan, Wang Man, Huang Meifen, Xun Ma, Qiong Wu

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C 19 H 16 Br 4 CuN 2 O 2 : monoclinic, P 2 1 / c (no. 14), a = 10.2649(3) Å, b = 10.1903(3) Å, c = 21.2494(6) Å, β = 100.522(1)°, V = 2185.36(11) Å 3 , Z = 4, w R 2 = 0.0730, T = 169.0 K.
Open Access
Chlorido-(2,2′-(ethane-bis(5-methoxyphenolato))-κ⁴ N,N′,O,O′)manganese(III) monohydrate, C₁₉H₁₈Cl₂CuN₂O₂

December 7, 2021

Liping Zheng, Jialu Wang, Haolong Jiao, Licha Meng, Yongfeng Qiao

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C 19 H 18 Cl 2 CuN 2 O 2 , monoclinic, C 2/ c (No. 15), a = 21.010(3) Å, b = 11.3886(15) Å, c = 7.9578(10) Å, β = 100.725(4)°, V = 1870.8(4) Å 3 , Z = 4, R gt ( F ) = 0.0331, w R ref ( F 2 ) = 0.1077, T = 170.0 K.
Open Access
Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C₂₂H₂₈O₂

November 22, 2021

Wei Guo, Pengda Zhai, Xiaofan Bai, Nan Li, Haixia Wu, Zhihui Zhang, Jingyu He

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C 22 H 28 O 2 , orthorhombic, Pna 2 1 (No. 33), a = 12.0841(9) Å, b = 16.6946(12) Å, c = 9.3837(8) Å, β = 90°, V = 1893.1(3) Å 3 , Z = 4, R gt ( F ) = 0.0497, wR ref ( F 2 ) = 0.1057, T = 220 K.
Open Access
Crystal structure of [6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato)-κ4N,N′,O,O′]copper(II)

November 17, 2021

Rui Duan, Xun Ma, Meifen Huang, Man Wang, Qiong Wu

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C 19 H 18 Cl 2 CuN 2 O 2 , monoclinic, space group C 2/ c (no. 15), a = 21.010(3) Å, b = 11.3886(15) Å, c = 7.9578(10) Å, β = 100.725(4)°, V = 1870.8(4) Å 3 , Z = 4, wR 2 = 0.1620, T = 170.0 K.
Open Access
Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C₃₀H₂₀O₄N₂Cl₂S₂

November 17, 2021

Li-Mei Jia, Peng Luo, Wei-Gao Pan

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C 30 H 20 O 4 N 2 Cl 2 S 2 , Orthorhombic, Pca 2 1 , a = 16.9808(14) Å, b = 7.5227(6) Å, c = 20.8027(16) Å, V = 2657.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0642, wR ref ( F 2 ) = 0.1809, T = 293 K.
Open Access
Crystal structure of bis{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl)borato-κN ³}manganese(II), C₃₀H₂₆B₂F₁₈MnN₁₂

November 17, 2021

Riko Ikarugi, Kiyoshi Fujisawa, Edward R. T. Tiekink

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C 30 H 26 B 2 F 18 MnN 12 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.5322(3) Å, b = 10.6475(4) Å, c = 10.9890(4) Å, α = 111.755(3)°, β = 99.100(2)°, γ = 112.740(3)°, V = 988.07(7) Å 3 , Z = 1, R gt ( F ) = 0.0338, wR ref ( F 2 ) = 0.0907, T = 178 K.
Open Access
Crystal structure of 1-(2-methylphenyl)-2-(2-methylbenzo[b]thienyl)-3,3,4,4,5,5-hexafluorocyclopent-ene, C₂₁H₁₄F₆S

November 23, 2021

Duohua Jiang

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C 21 H 14 F 6 S, monclinic, P 2 1 / n (no. 14), a = 9.9344(11) Å, b = 16.7106(18) Å, c = 11.6207(13) Å, β = 101.0080(10)°, V = 1893.7(4) Å 3 , Z = 4, R gt ( F ) = 0.0491, wR ref ( F 2 ) = 0.1541, T = 296(2) K.
Open Access
Crystal structure of 2-(3-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C₁₀H₁₇F₆N₄OPS₂

November 30, 2021

Václav Eigner, Roman Holakovský

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C 10 H 17 F 6 N 4 OPS 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.7848(9) Å, b = 9.8894(11) Å, c = 18.8020(19) Å, V = 1633.4(3) Å 3 , Z = 4, R gt ( F ) = 0.0348, wR ref ( F 2 ) = 0.0943, T = 150 K.
Open Access
Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C₂₁H₂₃Cl₄I₂N₃

November 22, 2021

Xingyu Xu, Ping Qiu

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C 21 H 23 Cl 4 I 2 N 3 , monoclinic, P 2 1 / c (no. 14), a = 26.110(2) Å, b = 9.1149(8) Å, c = 33.793(3) Å, β = 134.138(3)°, V = 5771.8(9) Å 3 , Z = 8, R gt ( F ) = 0.0624, wR ref ( F 2 ) = 0.1525, T = 297.93 K.
Open Access
Crystal structure of azido-k¹ N-{6,6′-((((methylazanediyl)bis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dibromophenolato)k⁵ N,N′,N″,O,O′}cobalt(III)-methanol (1/1)), C₂₁H₂₃Br₄CoN₆O₃

November 17, 2021

Rui Duan, Hui Tian, Yu Guojun, Qiong Wu

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C 21 H 23 Br 4 CoN 6 O 3 , monoclinic, P 2 1 / c (no. 14), a = 16.2300(4) Å, b = 20.9661(6) Å, c = 7.8269(2) Å, β = 97.2250(11)°, V = 2642.19(12) Å 3 , Z = 4, R gt ( F ) = 0.0336, wR ref ( F 2 ) = 0.0981, T = 150.0 K.
Open Access
The crystal structure of 2-(4-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C₁₀H₁₇F₆N₄OPS₂

November 30, 2021

Václav Eigner, Roman Holakovský

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C 10 H 17 F 6 N 4 OPS 2 , monoclinic, P 2 1 / c (no. 14), a = 13.0455(12) Å, b = 12.6114(12) Å, c = 10.7642(10) Å, β = 99.546(8)°, V = 1746.4(3) Å 3 , Z = 4, R gt ( F ) = 0.0425, w R ref ( F 2 ) = 0.1173, T = 150 K.
Open Access
Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C₉H₁₄F₁₂N₄P₂

November 17, 2021

Zhang Huang-Xian, Yuan Kun, Du Qi-Long, Nie Xu-Liang, Xiong Wan-Ming

Page range: 109-111

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C 9 H 14 F 12 N 4 P 2 , monoclinic, P 2 1 / m (no. 11), a = 5.8968(9) Å, b = 11.5554(18) Å, c = 12.994(2) Å, β = 94.577(2)°, V = 882.6(2) Å 3 , Z = 2, R gt ( F ) = 0.0676, wR ref ( F 2 ) = 0.2020, T = 296(2) K.
Open Access
Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(pyren-1-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C₅₄H₄₈N₄O₂

December 14, 2021

Jinping Wu, Kaihao Li, Hairong Lan, Yixin Chu

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C 54 H 48 N 4 O 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 11.1883(5) Å, b = 13.5364(5) Å, c = 14.3412(5) Å, α = 105.885(3)°, β = 97.710(3)°, γ = 94.126(3)°, Z = 2, V = 2056.64(14) Å 3 , R gt ( F ) = 0.0685, wR ref ( F 2 ) = 0.1606, T = 293(2) K.
Open Access
Crystal structure of poly[bis(μ₂-2,6-bis(1-imidazoly)pyridine-κ² N,N′)-bis(thiocyanato-κ¹ N)copper(II)] dithiocyanate, C₂₄H₁₈CuN₁₂S₂

December 1, 2021

Lu Li, Huajian Duan, Jun Qian

Page range: 117-119

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C 24 H 18 CuN 12 S 2 , monoclinic, P 2 1 / c (no. 4), a = 11.038(2) Å, b = 8.9312(18) Å, c = 16.083(5) Å, β = 125.66(2)°, V = 1288.2(6) Å 3 , Z = 2, R gt ( F ) = 0.0265, wR ref ( F 2 ) = 0.0974, T = 293 K.
Open Access
Cones with a three-fold symmetry constructed from three hydrogen bonded theophyllinium cations that coat [FeCl₄]⁻ anions in the crystal structure of tris(theophyllinium) bis(tetrachloridoferrate(III)) chloride trihydrate, C₂₁H₃₃Cl₉Fe₂N₁₂O₉

December 7, 2021

Guido J. Reiss, Maik Wyshusek

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C 21 H 33 Cl 9 Fe 2 N 12 O 9 , trigonal, R 3 ‾ $R\overline{3}$ (no. 148), a = 13.1897(3) Å, c = 39.5222(9) Å, Z = 6, V = 5954.4(3) Å 3 , R gt ( F ) = 0.0255, wR ref ( F 2 ) = 0.0743, T = 120 K.
Open Access
Crystal structure of 14-O-[(4-(4-hydroxypiperidine-1-yl)-6-methylpyrimidine-2-yl)thioacetyl]-mutilin monohydrate, C₃₂H₄₉N₃O₆S

December 8, 2021

Si-Jie Liu, Yuan Fan, Ruofeng Shang

Page range: 125-127

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C 32 H 49 N 3 O 6 S, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 9.2618(2) Å, b = 12.4066(2) Å, c = 27.2256(5) Å, V = 3128.42(12) Å 3 , Z = 4, R gt ( F ) = 0.0517, wR ref ( F 2 ) = 0.1355, T = 173.20(2) K.
Open Access
The crystal structure of (E)-3-chloro-2-(2-(4-methylbenzylidene)hydrazinyl)pyridine, C₁₃H₁₂ClN₃

January 4, 2022

Guo-Xiang Sun, Li-Jing Min, Liang Han, Xing-Hai Liu

Page range: 129-131

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C 13 H 12 ClN 3 , orthorhombic, Fdd 2 (no. 43), a = 28.7760(11) Å, b = 41.7393(17) Å, c = 8.5929(3) Å, V = 10,320.8(7) Å 3 , Z = 32, R gt ( F ) = 0.0477, wR ref ( F 2 ) = 0.0976, T = 296 K.
Open Access
The crystal structure of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinylidene]butanoic acid, C₁₆H₁₅N₃O₃

January 4, 2022

Itumeleng B. Setshedi, Mark G. Smith

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C 16 H 15 N 3 O 3 , monoclinic, P 2 1 / c (no. 14), a = 9.4957(3) Å, b = 18.2275(5) Å, c = 9.0896(3) Å, β = 114.372(1)°, V = 1433.05(15) Å 3 , Z = 4, R gt ( F ) = 0.0380, wR ref ( F 2 ) = 0.1011, T = 173 K.
Open Access
The crystal structure of 6-amino-5-carboxypyridin-1-ium pentaiodide monohydrate C₆H₉I₅N₂O₃

January 4, 2022

Dan-Xia Li, Hai-Jun Wang, Zhen-Li Yan, Chao-Jun Du

Page range: 135-136

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C 6 H 9 I 5 N 2 O 3 , triclinic, P 1¯ (no. 2), a = 7.4851(5) Å, b = 9.6056(6) Å, c = 12.4084(7) Å, α = 109.119(3)°, β = 99.341(3)°, γ = 92.334(3)°, V = 827.53(9) Å 3 , Z = 2, R gt ( F ) = 0.0234, wR ref ( F 2 ) = 0.0449, T = 150.0 K.
Open Access
Crystal structure of bis(μ₃-oxido)-bis(μ₂-2-formylbenzoato-k²O:O′)-bis(2-(dimethoxymethyl)-benzoato-κO)-oktakismethyl-tetratin(IV)

December 15, 2021

Zhongjun Gao, Haifeng Zhang

Page range: 137-139

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C 44 H 56 O 16 Sn 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.129(7) Å, b = 11.826(9) Å, c = 13.612(17) Å, α = 109.954(17)°, β = 98.165(16)°, γ = 102.862(12)°, V = 1308(2) Å 3 , Z = 1, R gt ( F ) = 0.0298, wR ref ( F 2 ) = 0.0806, T = 298 K.
Open Access
Crystal structure of 2-((E)-(((E)-2-hydroxy-4-methylbenzylidene) hydrazineylidene)methyl)-4-methylphenol, C₁₆H₁₆N₂O₂

January 4, 2022

Ze-Sen Jin, Xiao-jing Liu, E. Liu, Fang-fang Jian, Tongling Liang

Page range: 141-142

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C 16 H 16 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 8.6766(1) Å, b = 5.9039(1) Å, c = 13.3603(2) Å, β = 96.166(1)°, V = 680.432(17) Å 3 , Z = 2, R gt ( F ) = 0.0395, wR ref ( F 2 ) = 0.1195, T = 170 K.
Open Access
Crystal structure of (E)-amino(2-((5-methylfuran-2-yl)methylene)hydrazinyl) methaniminium nitrate monohydrate, C₁₄H₂₆N₁₀O₁₀

December 16, 2021

Ze-Sen Jin, E. Liu, Xiao-jing Liu, Fang-fang Jian, Tongling Liang

Page range: 143-145

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C 14 H 26 N 10 O 10 , monoclinic, P 2 1 (no. 4), a = 12.3337(3) Å, b = 3.87010(10) Å, c = 24.2368(6) Å, β = 97.644(2)°, V = 1146.61(5) Å 3 , Z = 2, R gt ( F ) = 0.0400, wR ref ( F 2 ) = 0.1092, T = 170 K.
Open Access
The crystal structure of N′-(2-chloro-6-hydroxybenzylidene)thiophene-2-carbohydrazide monohydrate, C₁₂H₁₁ClN₂O₃S

December 14, 2021

Haiyan Yu, Meng Wang

Page range: 147-148

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C 12 H 11 ClN 2 O 3 S, monoclinic, P 2 1 / n (no. 14), a = 4.7305(8) Å, b = 21.252(4) Å, c = 13.134(2) Å, β = 96.286(2)°, Z = 4, V = 1312.5(4) Å 3 , R gt ( F ) = 0.1002, wR ref ( F 2 ) = 0.1118, T = 296 K.
Open Access
Crystal structure of catena-poly[(μ₂-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ²N:N′)-bis(4-bromobenzoate-κ¹O)zinc(II)], C₆₄H₄₄Br₄N₈O₈Zn₂

December 14, 2021

Xiao-Hui Bai, Yan Xing, Si-Jie Liu

Page range: 149-151

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C 64 H 44 Br 4 N 8 O 8 Zn 2 , monoclinic, P 2 1 / c (No. 14), a = 6.6263(5) Å, b = 24.355(2) Å, c = 18.2418(15) Å, β = 96.433(2)°, V = 2925.4(4) Å 3 , Z = 2, R gt ( F ) = 0.0400, wR ref ( F 2 ) = 0.1302, T = 296(2) K.
Open Access
The crystal structure of catena-poly[(1-(4-carboxybenzyl)pyridin-1-ium-4-carboxylato-κ¹O)-(μ₂-oxalato-κ⁴ O:O′:O″:O‴)dioxidouranium(VI)], C₁₆H₁₁NO₁₀U

December 16, 2021

Yuning Meng, Ziyu Xie, Qiaofa Lan, Fei Niu, Xiaolin Zhang, Youming Yang, Bin Cai

Page range: 153-155

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C 16 H 11 NO 10 U, monoclinic, P 2 1 / c (no. 14), a = 16.4675(12) Å, b = 11.7192(8) Å, c = 9.6663(7) Å, β = 100.823(2)°, V = 1832.3(2) Å 3 , Z = 4, R gt ( F ) = 0.0277, wR ref (F 2 ) = 0.0673, T = 170.0 K.
Open Access
Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-phenylfuran, C₂₂H₂₁BrO₂

December 14, 2021

Haiyan Yu, Jihong Li

Page range: 157-159

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C 21 H 21 BrO 2 , monoclinic, P 2 1 / c (no. 14), a = 22.175(2) Å, b = 5.8375(6) Å, c = 14.8729(14) Å, β = 100.936(1)°, V = 1890.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0343, wR ref ( F 2 ) = 0.0839, T = 296(2) K.
Open Access
Halogen bonds in the crystal structure of 4,3′:5′,4″-terpyridine — 1,3-diiodotetrafluorobenzene (1/1), C₂₁H₁₁F₄I₂N₃

January 14, 2022

Weizhou Wang

Page range: 161-163

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C 21 H 11 F 4 I 2 N 3 , orthorhombic, Pnma (no. 62), a = 11.0042(4) Å, b = 20.6209(5) Å, c = 9.2371(3) Å, V = 2096.05(11) Å 3 , Z = 4, R gt ( F ) = 0.0316, wR ref ( F 2 ) = 0.0556, T = 293(2) K.
Open Access
Crystal structure of 2-(1H-indol-3-yl)ethan-1-aminium 2-(4-acetylphenoxy)acetate, C₂₀H₂₂N₂O₄

December 16, 2021

Feng Yi-Min, Tai Xi-Shi

Page range: 165-167

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C 20 H 22 N 2 O 4 , monoclinic, P 2 1 / c (no. 14), a = 18.1092(12) Å, b = 8.4026(6) Å, c = 11.6983(8) Å, β = 92.582(7)°, V = 1778.3(2) Å 3 , Z = 4, R gt ( F ) = 0.0456, w R ref ( F 2 ) = 0.1137, T = 200.00(10) K.
Open Access
Chalcogen bonds in the crystal structure of 4,7-dibromo-2,1,3-benzoselenadiazole, C₆H₂Br₂N₂Se

December 14, 2021

Weizhou Wang

Page range: 169-171

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C 6 H 2 Br 2 N 2 Se, monoclinic, P 2 1 / c (no. 14), a = 7.7277(4) Å, b = 19.6360(6) Å, c = 10.8656(5) Å, β = 102.124(4)°, V = 1611.98(12) Å 3 , Z = 4, R gt ( F ) = 0.0482, wR ref ( F 2 ) = 0.1175, T = 290 K.
Open Access
The crystal structure of 1,4-bis((1H-benzimidazol-2-yl)methyl)-piperazine-2,5-dione dihydrate, C₂₀H₂₂N₆O₄

January 4, 2022

Aijun Jia, Zhihai Gong, Ji Li

Page range: 173-174

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C 20 H 22 N 6 O 4 , monoclinic, P 2 1 / c (no. 14), a = 11.2208(8) Å, b = 6.0358(4) Å, c = 14.6702(10) Å, β = 92.565(1)°, V = 992.57(12) Å 3 , Z = 2, R gt ( F ) = 0.0639, wR ref ( F 2 ) = 0.1726, T = 296(2) K.
Open Access
The crystal structure of C₁₉H₂₀O₈

January 4, 2022

Bao-Long Lai, Hai-Ming Zhou, Zan-Hong Chen, Hui-Ying Chen, Qin-Wen Zhang, Yi-Wen Tao

Page range: 175-177

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C 19 H 20 O 8 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.0708(4) Å, b = 8.1261(4) Å, c = 16.1067(6) Å, α = 81.252(4)°, β = 81.500(4)°, γ = 77.890(4)°, V = 887.88(8) Å 3 , Z = 2, R gt ( F ) = 0.0418, wR ref ( F 2 ) = 0.1158, T = 150 K.
Open Access
The crystal structure of KNa₃Te₈O₁₈·5H₂O exhibiting a _∞²[Te₄O₉]²⁻ layer

December 22, 2021

Lei Geng

Page range: 179-181

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KNa 3 Te 8 O 18 ·5H 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.5701(4) Å, b = 8.7278(4) Å, c = 10.4082(5) Å, α = 67.582(2)°, β = 66.167(2)°, γ = 77.861(2)°, V = 656.85(6) Å 3 , Z = 1, R gt ( F ) = 0.0180, wR ref ( F 2 ) = 0.0452, T = 296(2) K.
Erratum
Open Access
Erratum to: Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C₂₃H₁₆BrNO

December 13, 2021

Fei Pan, Xian Wei, Menglan Lv

Page range: 183-183

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