Zeitschrift für Kristallographie - New Crystal Structures

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Volume 236, Issue 5

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

August 9, 2021

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New Crystal Structures
Open Access
Crystal structure of [aqua-(4-iodopyridine-2,6-dicarboxylato-κ³ O,N,O′)-(1,10-phenanothroline-κ² N,N′)copper(II)] dihydrate, C₁₉H₁₆O₇N₃CuI

May 12, 2021

Benlian Lv

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C 19 H 16 O 7 N 3 CuI, orthorhombic, Pbca (no. 61), a = 12.5772(2) Å, b = 17.3473(3) Å, c = 18.8445(3) Å, Z = 8, V = 4111.50(12) Å 3 , R gt ( F ) = 0.0310, wR ref ( F 2 ) = 0.0775, T = 289 K.
Open Access
The crystal structure of tetrakis(1-isopropyl-1H-imidazolium) octamolybdate, C₂₄H₄₄Mo₈N₈O₂₆

June 9, 2021

Bingchuan Yang, Xueyan Lv, Rutao Liu

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C 24 H 44 Mo 8 N 8 O 26 , monoclinic, P 2 1 / n (no. 14), a = 10.3214(11) Å, b = 21.810(2) Å, c = 10.9371(11) Å, V = 2340.4(4) Å 3 , Z = 2, R gt ( F ) = 0.0423, wR ref ( F 2 ) = 0.0893, T = 298(2) K.
Open Access
Crystal structure of catena-poly[bis(µ₂-3,5-bis(1-imidazolyl)pyridine-κ² N:N′)-(µ₂-3-nitrophthalato-k³ O,O′:O″)cadmium(II)] dihydrate, C₃₀H₂₅N₁₁O₈Cd

July 28, 2021

Wei-Dong Yin, Qian-Long Liu, Ya-Jing Zhao, Xiao-Ru Gong, Gui-Lian Li

Page range: 899-902

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C 30 H 25 N 11 O 8 Cd, orthorhombic, Pnma (no. 62), a = 17.9344(3) Å, b = 18.2722(3) Å, c = 9.5619(2) Å, V = 3133.44(10) Å 3 , Z = 4, R gt ( F ) = 0.0345, wR ref ( F 2 ) = 0.0707, T = 293.28(10) K.
Open Access
The crystal structure of diaqua-bis(2-(3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl)pyridine-κ² N:N′)-bis(3,5-dicarboxybenzoato-κ¹ O)cobalt(II), C₃₈H₃₀CoN₁₂O₁₄

July 29, 2021

Zhang Yong-Hua, Meng-Yao Wen, Ke Yan

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C 38 H 30 CoN 12 O 14 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 6.9503(3) Å, b = 7.0244(4) Å, c = 20.1182(9) Å, α = 92.261(4)°, β = 95.206(4)°, γ = 104.600(4)°, V = 944.59(8) Å 3 , Z = 1, R gt ( F ) = 0.0408, wR ref ( F 2 ) = 0.0910, T = 287 K.
Open Access
Crystal structure of the nickel(II) complex aqua-(2,6-di(pyrazin-2-yl)-4,4′-bipyridine-κ³ N,N′,N′′)-(phthalato-κ² O,O′)nickel(II) tetrahydrate, C₂₆H₂₆N₆O₉Ni

July 29, 2021

Wang Yu-Fang, Shu-Qi Zhang

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C 26 H 26 N 6 O 9 Ni, triclinic, P 1 ‾ $‾{1}$ (no. 2), a = 11.2329(5) Å, b = 11.7535(5) Å, c = 12.1109(7) Å, α = 70.936(5) ° , β = 75.684(4) ° , γ = 63.266(4) ° , V = 1340.13(13) Å 3 , Z = 2, R gt ( F ) = 0.0314, w R ref ( F 2 ) = 0.0743, T = 290 K.
Open Access
The crystal structure of 1-[5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanaminium 3-carboxyprop-2-enoate, C₂₁H₂₀FN₃O₆S

May 13, 2021

Yi-Xia Gong, Yi-Ding Geng, Shu-Jing Zhou, Gui-Yan Wang

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C 21 H 20 FN 3 O 6 S, monoclinic, P 2 1 / n (no. 14), a = 7.8502(4) Å, b = 7.9892(4) Å, c = 34.9707(19) Å, β = 92.500(1)°, V = 2191.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0502, wR ref ( F 2 ) = 0.1361, T = 296(2) K.
Open Access
The crystal structure of 1,2-bis(4-pyridyl)ethane - 4,4-dihydroxydiphenylmethane (1/1), C₂₅H₂₁N₂O₂

May 13, 2021

Jie Cheng, Jue Chen

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C 25 H 21 N 2 O 2 , monoclinic, C 2/ c (no. 15), a = 11.041(2) Å, b = 7.859(2) Å, c = 24.131(5) Å, β = 95.26(3)°, V = 2085.1(7) Å 3 , Z = 4, R gt ( F ) = 0.0486, wR ref ( F 2 ) = 0.1402, T = 295 K.
Open Access
Crystal structure of bis(2-((E)-5-chloro-2-hydroxybenzylidene)hydrazineyl)methaniminium trifluoroacetate dihydrate, C₃₄H₃₆Cl₄N₁₀O₁₂

August 2, 2021

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

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C 34 H 36 Cl 4 N 10 O 12 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 10.3071(3) Å, b = 13.4696(4) Å, c = 16.1893(4) Å, α = 81.467(2)°, β = 77.726(2)°, γ = 82.055(2)°, V = 2158.64(11) Å 3 , Z = 2, R gt ( F ) = 0.0539, wR ref ( F 2 ) = 0.1609, T = 170 K.
Open Access
Crystal structure of 1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C₁₅H₁₃F₂NO₄

May 14, 2021

Chun-Yan Zhang, Xu-Liang Nie, Guo-Ping Huang, Yuan-Zhen Xiong, Jian-Ping Huang

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C 15 H 13 F 2 NO 4 , monoclinic, P 2 1 / n (no. 14), a = 5.1342(10) Å, b = 9.6478(18) Å, c = 27.192(5) Å, β = 95.42°, V = 1340.9(4) Å 3 , Z = 4, R gt ( F ) = 0.0434, w R ref ( F 2 ) = 0.1197, T = 296(2) K.
Open Access
Crystal structure of methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C₁₈H₁₅BN₂O₂

June 7, 2021

Qiang Ma, Zong-Cheng Miao

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C 18 H 15 BN 2 O 2 , monolinic, P 2 1 / n (no. 14), a = 13.61(2) Å, b = 7.389(11) Å, c = 16.34(2) Å, β = 113.91(2)°, V = 1502(4) Å 3 , Z = 4, R gt ( F ) = 0.0544, wR ref ( F 2 ) = 0.1651, T = 273 K.
Open Access
Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-2-hydroxybenzohydrazide, C₁₄H₁₁ClN₂O₃

June 18, 2021

Jianlian Liu, Hong Hao, Chaojun Du

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C 14 H 11 ClN 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 7.0242(11) Å, b = 25.375(4) Å, c = 7.6789(13) Å, β = 111.2752°, V = 1275.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0349, wR ref ( F 2 ) = 0.1123, T = 296(2) K.
Open Access
Crystal structure of Al-rich fluorophlogopite, K_1.0(Mg_2.8Al_0.2)(Si_2.8Al_1.2)O₁₀F₂

June 25, 2021

Chen Aiqing, Zhang Lixue

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K 1.0 (Mg 2.8 Al 0.2 )(Si 2.8 Al 1.2 )O 10 F 2 , monoclinic, C 2/ m (no. 12), a = 5.3040(11) Å, b = 9.2288(18) Å, c = 10.1286(20) Å, β = 100.173(3)°, V = 488.00(17) Å 3 , Z = 2, R gt ( F ) = 0.0387, wR ref ( F 2 ) = 0.1086, T = 298 K.
Open Access
The crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium hexafluoridoantimonate(V), C₂₀H₂₂F₆I₂N₃Sb

June 1, 2021

Xingyu Xu, Ping Qiu

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C 20 H 22 F 6 I 2 N 3 Sb, triclinic, P 1 ‾ $P\bar{1}$ (no. 2), a = 10.2268(10) Å, b = 10.8850(9) Å, c = 12.1413(10) Å, α = 101.810(2)°, β = 90.465(3)°, γ = 103.194(3)°, V = 1285.9(2) Å 3 , Z = 2, R gt ( F ) = 0.0291, wR ref ( F 2 ) = 0.0717, T = 200 K.
Open Access
Crystal structure of tris(3-iodopyridin-1-ium) catena-poly[(hexachlorido-κ¹ Cl)-(μ₂-trichlorido-κ² Cl:Cl)diantimony(III)], C₁₅H₁₅Cl₉I₃N₃Sb₂

June 30, 2021

Yuxin Ma, Munan Hao, Ruijin Sun, Shifeng Jin, Changchun Zhao

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C 15 H 15 Cl 9 I 3 N 3 Sb 2 , monoclinic, C 2/ c (no. 15), a = 28.2633(7) Å, b = 12.4964(3) Å, c = 9.1542(3) Å, β = 99.5840(10)°, V = 3188.04(15) Å 3 , Z = 4, R gt ( F ) = 0.0274, wR ref ( F 2 ) = 0.0687, T = 273.15 K.
Open Access
Crystal structure of methyl 2-(1H-naphtho[1,8-de][1.3.2]diazaborinin-2(3H-yl)benzoate C₁₈H₁₅BN₂O₂

June 30, 2021

Wenqi Song, Zongcheng Miao

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C 18 H 15 BN 2 O 2 , monoclinic, C 2/ c (no. 15), a = 23.976(3) Å, b = 7.7690(9) Å, c = 32.940(4) Å, β = 95.17(1)°, V = 2482.26(15) Å 3 , Z = 4, R gt ( F ) = 0.0525, wR ref ( F 2 ) = 0.1415, T = 193 K.
Open Access
The crystal structure of 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl dibenzoate, C₄₀H₂₈O₈

June 23, 2021

Miyuki Kobayashi, Kikuko Iida, Hiroaki Iitsuka, Kun Li, Noriyuki Yonezawa, Akiko Okamoto

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C 40 H 28 O 8 , orthorhombic, Pna 2 1 (no. 33), a = 27.0291(4) Å, b = 14.5593(2) Å, c = 7.95172(10) Å, V = 3129.20(7) Å 3 , Z = 4, R gt ( F ) = 0.0276, wR ref ( F 2 ) = 0.0690, T = 193 K.
Open Access
Crystal structure of 2-bromo-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C₁₄H₁₅B₂BrF₄N₄

June 21, 2021

Weifeng He, Yingfan Liu, Saisai Sun, Guangqian Ji, Xiaochuan Li

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C 14 H 15 B 2 BrF 4 N 4 , orthorhombic, Pbca (no. 61), a = 11.970(1) Å, b = 10.049(1) Å, c = 27.847(1) Å, V = 3349.6 Å 3 , Z = 8, R gt ( F ) = 0.0697, wR ref ( F 2 ) = 0.1585, T = 296 K. CCDC no.: 2080820
Open Access
The crystal structure of (E)-3-chloro-2-(2-(2-fluorobenzylidene)hydrazinyl)pyridine, C₁₂H₉ClFN₃

June 18, 2021

Hui-Zhen Wu, Li-Jing Min, Liang Han, Xing-Hai Liu, Na-Bo Sun

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C 12 H 9 ClFN 3 , monoclinic, C 2/ c (no. 15), a = 24.713(13) Å, b = 15.459(13) Å, c = 17.507(12) Å, β = 17.515(11)°, V = 4742(6) Å 3 , Z = 16, R gt ( F ) = 0.0530, wR ref ( F 2 ) = 0.1161, T = 113(2) K.
Open Access
Crystal structure of bis(µ₂- 4-iodopyridine-2,6-dicarboxylato-κ³O:N:O′)-bis(4-iodopyridine-2,6-dicarboxylato-κ³O:N:O′)-bis(µ₂-1-(4-pyridyl)piperazine-κ²N:N′)-hexa-aqua-tetra-copper(II), C₄₆H₄₆Cu₄I₄N₁₀O₂₂

June 24, 2021

Benlian Lv

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C 46 H 46 Cu 4 I 4 N 10 O 22 , monoclinic, P 2 1 / c (no. 14), a = 10.6637(2) Å, b = 18.8249(6) Å, c = 14.8626(5) Å, β = 93.853(3)°, Z = 2, V = 2976.81(15) Å 3 , R gt ( F ) = 0.0361, wR ref ( F 2 ) = 0.0726, T = 291 K.
Open Access
Crystal structure of poly[diaqua-(μ₂-2,5-dihydroxyterephthalato-κ²O:O′)(μ₂-bis(4-pyridylformyl)piperazine-κ²N:N′)cadmium(II)] dihydrate, C₂₄H₂₈CdN₄O₁₂

June 18, 2021

Benlian Lv, Yunli Ren

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C 24 H 28 CdN 4 O 12 , monoclinic, P 2 1 / c (no. 14), a = 11.0801(4) Å, b = 8.3925(3) Å, c = 13.9503(5) Å, β = 102.810(3)°, Z = 2, V = 1353.89(8) Å 3 , R gt ( F ) = 0.0273, wR ref ( F 2 ) = 0.0633, T = 291 K.
Open Access
Crystal structure of poly[aqua-(μ₂-1,3-di(1H-imidazol-1-yl)propane-κ²N:N′)-(μ₃-2,3,5,6-tetrafluoroterephthalato-κ³O:O′:O′′)cadmium(II)], C₁₇H₁₄N₄O₅F₄Cd

May 31, 2021

Yu-Mei Guo, Bo Tang, Hong-Guang Ge, Pei Huang, Jiu-Fu Lu

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C 17 H 14 N 4 O 5 F 4 Cd, monoclinic, P 2 1 / c (no. 14), a = 9.6671(7) Å, b = 20.0783(13) Å, c = 10.4225(7) Å, β = 107.365(1)°, V = 1930.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0250, w R ref ( F 2 ) = 0.0880, T = 293(2) K.
Open Access
Crystal structure of 6-(quinolin-8-yl)benzo[a]phenanthridin-5(6H)-one, C₂₆H₁₆N₂O

May 28, 2021

Chuan-Jun Li

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C 26 H 16 N 2 O, monoclinic, P 2 1 / c (no. 14), a = 12.3329(2) Å, b = 12.9276(2) Å, c = 12.11250(10) Å, β = 114.047(2)°, V = 1763.55(5) Å 3 , Z = 4, R gt ( F ) = 0.0416, wR ref ( F 2 ) = 0.1137, T = 293(2) K.
Open Access
The crystal structure of aqua-bis(6-chloropicolinato-κ²N,O)copper(II), C₁₂H₈Cl₂N₂O₅Cu

June 21, 2021

Zhongyu Zhang, Mingqiong Tong, Yanling Liu

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C 12 H 8 Cl 2 N 2 O 5 Cu, triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 6.800(2) Å, b = 9.086(3) Å, c = 11.363(4) Å, α = 86.701(6)°, β = 84.830(5)°, γ = 77.353(5)°, V = 681.7(4) Å 3 , Z = 2, R gt ( F ) = 0.0250, wR ref ( F 2 ) = 0.0655, T = 296(2) K.
Open Access
Crystal structure of catena-poly[diaqua-bis(μ₂-4,4′-bipyridyl-κ²N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C₂₅H₂₉Ag₂N₅O₉S

July 7, 2021

Han-Lin Zhao, Jin-Ke Jiang, Hui Jiang, Xian-Wu Dong, Xue Li

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C 25 H 29 Ag 2 N 5 O 9 S, monoclinic, P 2 1 / m (no. 11), a = 8.5437(16) Å, b = 17.852(4) Å, c = 9.3335(13) Å, β = 101.380(16)°, V = 1395.6(5) Å 3 , Z = 2, R gt ( F ) = 0.0271, wR ref ( F 2 ) = 0.0653, T = 293(2) K.
Open Access
The crystal structure of 4-(3-bromophenyl)pyrimidin-2-amine, C₁₀H₈BrN₃

June 18, 2021

Arshad Khan, Rabia Usman, Amjad Khan, Moamen S. Refat, Abeer M. Alosaimi, Safyah B. Bakare, Mohammed T. Alghamdi

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C 10 H 8 BrN 3 , orthorhombic, Pbca (no. 61), a = 7.214(3) Å, b = 12.735(6) Å, c = 21.305(9) Å, V = 1957.3(15) Å 3 , Z = 8, R gt ( F ) = 0.0353, wR ref ( F 2 ) = 0.0808, T = 293 K.
Open Access
Crystal structure of 6-oxo-4-phenyl-1-propyl-1,6-dihydropyridine-3-carbonitrile, C₁₅H₁₄N₂O

June 30, 2021

Bei-Chen Shi, Hao-Dong Chen, Xian-Dui Zhu, Meng-Meng Zhang, Zhi-Fei Zhang

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C 15 H 14 N 2 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.6510(15) Å, b = 11.465(2) Å, c = 14.526(3) Å, V = 1274.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0422, wR ref ( F 2 ) = 0.1199, T = 296 K.
Open Access
Crystal structure of 4-(2,2-difluoroethyl)-2,4-dimethyl-6-(trifluoromethyl)isoquinoline-1,3(2H,4H)-dione, C₁₄H₁₂F₅NO₂

June 21, 2021

Jianlian Liu, Chaojun Du, Hong Hao

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C 14 H 12 F 5 NO 2 , monoclinic, P 2 1 / c (no. 14), a = 11.8292(10) Å, b = 11.0987(8) Å, c = 11.6480(10) Å, β = 115.282(11)°, V = 1382.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0913, wR ref ( F 2 ) = 0.1609, T = 293(2) K.
Open Access
Crystal structure of dibromido-(1-methyl-1H-imidazole-κ¹N)-(3-(3-methyl-1H-imidazol-3-ium-1-yl)propanoato-κ¹O)zinc(II), C₁₁H₁₆Br₂N₄O₂Zn

June 21, 2021

Pengju Liu, Zongwei Wang, Libing Guo, Junming Tang

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C 11 H 16 Br 2 N 4 O 2 Zn, monoclinic, Cc (no. 9), a = 15.534(7) Å, b = 7.956(4) Å, c = 14.589(7) Å, β = 119.094(8)°, V = 1575.5(13) Å 3 , Z = 4, R gt ( F ) = 0.0296, wR ref ( F 2 ) = 0.0703, T = 296 K.
Open Access
The crystal structure of 1,1′-(((2 (dimethylamino)ethyl)azanediyl)bis(methylene)) bis(naphthalen-2-olato-κ⁴ N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)- titanium(IV) ─ dichloromethane (2/1), C₃₃H₂₉N₃O₆Ti

July 6, 2021

Tiankun Zhao, Peng Wang, Mingyu Ji, Shanjia Li, Mingjun Yang, Xiuying Pu

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C 33 H 29 N 3 O 6 Ti, monoclinic, C 2/ c (no. 15), a = 27.4022(15) Å, b = 14.0345(7) Å, c = 17.0047(10) Å, β = 116.009(3)°, V = 5877.3(6) Å 3 , Z = 8, R gt ( F ) = 0.0369, wR ref ( F 2 ) = 0.1125, T = 100(2) K.
Open Access
The layered crystal structure of bis(theophyllinium) hexachloridostannate (IV), C₁₄H₁₈N₈O₈SnCl₆

July 6, 2021

Guido J. Reiss, Maik Wyshusek

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C 14 H 18 N 8 O 8 SnCl 6 , monoclinic, P 2 1 / n (no. 14), a = 8.1810(2) Å, b = 12.6195(3) Å, c = 11.3811(2) Å, β = 90.258(2)°, Z = 2, V = 1174.97(5) Å 3 , R gt ( F ) = 0.0266, wR ref = 0.0620, T = 290 K.
Open Access
The crystal structre of 3-(1-ethenyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate, C₈H₁₂N₂O₃S

June 25, 2021

Yanfang Zhu, Guiyang Xu, Wenqi Song, Zongcheng Miao

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C 8 H 12 N 2 O 3 S, monolinic, P 2 1 / n (no. 14), a = 6.0324(5) Å, b = 7.1692(6) Å, c = 21.6655(17) Å, β = 97.022(3)°, V = 929.95(13) Å 3 , Z = 4, R gt ( F ) = 0.0409, wR ref ( F 2 ) = 0.1201, T = 193 K.
Open Access
Synthesis and crystal structure of di-tert-butyl 1″-acetyl-2,2″,9′-trioxo-4a′,9a′-dihydro-1′H,3′H,9′H-dispiro[indoline-3,2′-xanthene-4′,3″-indoline]-1,3′-dicarboxylate, C₃₉H₃₈N₂O₉

June 18, 2021

Wu-Wu Li, Xiong-Li Liu, Xiao-Peng Li, Hao-Nan Zheng, A-Tong Weng, Ling-Ying Feng, Lu Liu

Page range: 995-997

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C 39 H 38 N 2 O 9 , monoclinic, P 2 1 / c (no. 14), a = 9.9846(6) Å, b = 31.4308(13) Å, c = 11.5739(6) Å, β = 110.712(7)°, V = 3397.4(3) Å 3 , Z = 4, R gt ( F ) = 0.0596, wR ref ( F 2 ) = 0.1221, T = 293 K.
Open Access
The crystal structure of 4-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C₁₇H₉ClN₂O₂

June 24, 2021

Fan Yang, Lin Yao, Xu-Li Zeng

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C 17 H 9 ClN 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 13.6888(4) Å, b = 8.3775(2) Å, c = 12.9180(3) Å, β = 110.515(3)°, V = 1387.46(7) Å 3 , Z = 4, R gt ( F ) = 0.0420, wR ref ( F 2 ) = 0.1224, T = 293(2) K.
Open Access
The crystal structure of 1-fluoro-4-(p-tolylethynyl)benzene, C₁₅H₁₁F

July 6, 2021

Jin-Bao Liu

Page range: 1001-1002

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C 15 H 11 F, monoclinic, P 2 1 / n (no. 14), a = 6.2490(3) Å, b = 7.6343(4) Å, c = 24.2376(9) Å, β = 90.914(4)°, V = 1156.15(9) Å 3 , Z = 4, R gt ( F ) = 0.0619, wR ref ( F 2 ) = 0.1829, T = 293(2) K.
Open Access
The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ²N,O] copper(II), C₁₈H₁₂Br₂CuN₄O₂

June 30, 2021

Željko K. Jaćimović, Zoran D. Tomić, Gerald Giester, Eugen Libowitzky, Atifa Ajanović, Milica Kosović

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C 18 H 12 Br 2 CuN 4 O 2 , monoclinic, P 2 1 / c (no. 14), a = 11.5165(11) Å, b = 5.4369(5) Å, c = 14.4872(14) Å, V = 873.52(14) Å 3 , Z = 2, R gt ( F ) = 0.0232, wR ref ( F 2 ) = 0.0559, T = 200 K.
Open Access
The crystal structure of poly[(μ ₃-imidazolato-κ ³ N:N:N′)(tetrahydrofuran- κ ¹ O)lithium(I)], C₇H₁₁LiN₂O

July 7, 2021

Ludwig Zapf, Maik Finze

Page range: 1007-1009

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C 7 H 11 LiN 2 O, monoclinic, P 2 1 / c (no. 14), a = 8.9067(1) Å, b = 8.6975(1) Å, c = 10.2398(1) Å, β = 101.900(3)°, V = 770.491(15) Å 3 , Z = 4, R gt ( F ) = 0.0338, wR ref ( F 2 ) = 0.0925, T = 100 K.
Open Access
Crystal structure of N′,N′′′-((1E,1′E)-(propane-2,2-diylbis(1H-pyrrole-5,2diyl))bis(methaneylylidene))di(nicotinohydrazide) pentahydrate, C₂₅H₂₄N₈O₂·5H₂O

June 30, 2021

Yi Zhou, Min Zhang, Ying Xiong

Page range: 1011-1013

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C 25 H 34 N 8 O 7 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 7.507(2) Å, b = 8.0276(18) Å, c = 23.653(6) Å, α = 93.062(8)°, β = 97.015(9)°, γ = 99.478(8)°, V = 1391.4(6) Å 3 , Z = 2, R gt ( F ) = 0.0473, wR ref ( F 2 ) = 0.1477, T = 273 K.
Open Access
Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V), C₉H₁₅F₆N₂O₂P

June 30, 2021

Kun Yuan, Wan-Ming Xiong, Xu-Liang Nie, Da-Yong Peng, Jing Chen

Page range: 1015-1017

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C 9 H 15 F 6 N 2 O 2 P, monoclinic, P 2 1 / n (no. 14), a = 8.3781(15) Å, b = 13.970(3) Å, c = 12.904(2) Å, β = 104.500(2)°, V = 1462.3(5) Å 3 , Z = 4, R gt (F) = 0.0677, wR ref ( F 2 ) = 0.1977, T = 296(2) K.
Open Access
Crystal structure of (1,10-phenanthroline-κ²N,N′)-bis(3-thiophenecarboxylato-κ²O,O′)copper(II), C₂₂H₁₄N₂O₄S₂Cu

July 6, 2021

Zhongyu Zhang, Xiaoxia Men, Bing Han, Chunyan Sun

Page range: 1019-1020

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C 22 H 14 N 2 O 4 S 2 Cu, orthorhombic, Pbcn (no. 60), a = 20.171(7) Å, b = 9.684(3) Å, c = 10.372(4) Å, V = 2025.9(12) Å 3 , Z = 4, R gt ( F ) = 0.0334, wR ref ( F 2 ) = 0.0908, T = 273.15 K.
Open Access
The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C₆H₈IN₂O_2.5

July 14, 2021

Guang Huang

Page range: 1021-1022

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C 6 H 8 IN 2 O 2.5 , monoclinic, P 2/ n (no. 13), a = 9.8300(4) Å, b = 5.3338(2) Å, c = 17.4040(8) Å, β = 105.493(2)°, V = 879.36(6) Å 3 , Z = 2, R gt ( F ) = 0.0139, wR ref ( F 2 ) = 0.0306, T = 150(2) K.
Open Access
Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C₁₈H₁₇NO₃

July 12, 2021

Lei Wang, Qing-Guo Meng, Gui-Ge Hou

Page range: 1023-1025

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C 18 H 17 NO 3 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 4.0929(4) Å, b = 12.9527(11) Å, c = 14.4228(12) Å, α = 70.171(8)°, β = 87.229(8)°, γ = 87.567(8)°, V = 718.16(12) Å 3 , Z = 2, R gt ( F ) = 0.0549, wR ref ( F 2 ) = 0.1526, T = 99.9(3) K.
Open Access
The crystal structure of [μ-hydroxido-bis[(5,5′-dimethyl-2,2′-bipyridine-κ²N,N′)-tricarbonylrhenium(I)] bromide hemihydrate, C₃₀H₂₆N₄O₉Re₂Br

June 30, 2021

Lehlohonolo Moherane, Orbett T. Alexander, Hendrik G. Visser, Amanda-Lee E. Manicum

Page range: 1027-1029

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C 30 H 26 N 4 O 9 Re 2 Br, triclinic, P1‾$P\bar{1}$ (no. 2), a = 9.407(6) Å, b = 11.769(8) Å, c = 15.055(11) Å, α = 82.70(2)°, β = 76.68(3)°, γ = 77.364(2)°, V = 1577.5(19) Å 3 , Z = 2, R gt ( F ) = 0.0291, wR ref ( F 2 ) = 0.0868, T = 100 K.
Open Access
The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C₂₀H₁₈N₂S₂

July 12, 2021

Zhi-Wei Zhai, Shuang-Hua Yang

Page range: 1031-1033

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C 20 H 18 N 2 S 2 , monoclinic, P 2 1 / n (no. 14), a = 7.92140(10) Å, b = 6.08080(10) Å, c = 17.8091(3) Å, β = 90.592(2)°, V = 857.79(2) Å 3 , Z = 4, R gt ( F ) = 0.0382, wR ref ( F 2 ) = 0.1051, T = 149.99(10) K. CCDC no.: 2085420
Open Access
The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C₂₄H₁₆FN₃O₂

June 24, 2021

Zeliha Atioğlu, Halis Karataş, Zülbiye Kökbudak

Page range: 1035-1037

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C 24 H 16 FN 3 O 2 , monoclinic, P 2 1 (no. 4), a = 6.0024(5) Å, b = 19.474(2) Å, c = 8.3531(8) Å, β = 91.750(9)°, V = 975.95(16) Å 3 , Z = 2, R gt ( F ) = 0.0409, wR ref ( F 2 ) = 0.0832, T = 294(2) K.
Open Access
Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ ² O,O′)(tricyclohexylphosphine-κP)rhodium(I), C₂₅H₃₉N₂O₃PRh

July 19, 2021

Orbett T. Alexander, Johan Venter

Page range: 1039-1041

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C 25 H 39 N 2 O 3 PRh, triclinic, P 2 1 / n (no. 14), a = 13.505(5) Å, b = 14.266(5) Å, c = 13.405(4) Å, β = 91.280(3)°, V = 2574.8(15) Å 3 , Z = 4, R gt ( F ) = 0.0399, wR ref ( F 2 ) = 0.1026, T = 100 K.
Open Access
Crystal structure of poly[bis[μ₃-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ³N:N′:N″]nickel(II)] hexafluorosilicate, C₃₆H₃₆N₁₂NiSiF₆

July 15, 2021

Xi‐Ting Xu, Tong‐Min Dong, Wei Song, Kai‐Long Zhong

Page range: 1043-1045

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C 36 H 36 N 12 NiSiF 6 , trigonal, P 3 ‾ $P‾{3}$ (no. 147), a = 9.5965(3) Å, c = 11.8821(8) Å, V = 947.65(9) Å 3 , Z = 1, R gt ( F ) = 0.0437, wR ref ( F 2 ) = 0.1076, T = 223 K.
Open Access
The crystal structure of 13-(pyrazole-1-yl-4-carbonitrile)-matrine, C₁₉H₂₅N₅O

July 14, 2021

Jun-Jie Li, Fang-Yun Dong, Qi-Wen Zou, Yin Feng, Yu-Tao Yang, Kai-Xuan Su, Yong-Fu Huang, Xu-Hong Jiang, Xing-An Cheng

Page range: 1047-1049

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C 19 H 25 N 5 O, monoclinic, P 2 1 (no. 4), a = 16.0600(2) Å, b = 5.3992(1) Å, c = 19.8514(2) Å, β = 94.260(1)°, V = 1716.58(4) Å 3 , Z = 4, R gt ( F ) = 0.0350, wR ref ( F 2 ) = 0.0908, T = 100.00(10) K.
Open Access
Crystal structure of 3,5-bis((E)-4-methoxy-2-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C₂₄H₂₁F₆NO₃

July 20, 2021

Xia Zhou, Zhong-Hao Sun, Guang-Zhi Shan, Qing-Guo Meng

Page range: 1051-1053

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C 24 H 21 F 6 NO 3 , monoclinic, P 2 1 / c (no. 14), a = 16.0076(10) Å, b = 7.7424(4) Å, c = 17.3259(11) Å, β = 96.161(5)°, V = 2134.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0563, wR ref ( F 2 ) = 0.1517, T = 100.0(1) K.
Open Access
The crystal structure of N,N′-(Disulfanediyldi-2,1-phenylene)di(6′-methylpyridine)-2-carboxamide, C₂₆H₂₂N₄O₂S₂

July 14, 2021

Nana Xin, Jun Zheng, Qingpeng He

Page range: 1055-1057

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C 26 H 22 N 4 O 2 S 2 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 7.9495(7) Å, b = 11.2494(12) Å, c = 13.7829(13) Å, α = 81.433(2)°, β = 76.536(1)°, γ = 82.641(2)°, V = 1179.7(2) Å 3 , Z = 2, R gt (F) = 0.0727, wR ref ( F 2 ) = 0.2189, T = 298(2) K.
Open Access
Crystal structure of (E)-7-fluoro-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₁₉H₁₄F₄O₂

July 21, 2021

Qing-Guo Meng, Sheng-Nan Zhao, Zhong-Hao Sun, Guang-Zhi Shan, Qing-Guo Meng

Page range: 1059-1061

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C 19 H 14 F 4 O 2 , monoclinic, P 2 1 / c (no. 14), a = 11.8614(10) Å, b = 7.9148(6) Å, c = 16.7999(16) Å, β = 99.150(9)°, V = 1557.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0446, wR ref ( F 2 ) = 0.1150, T = 100 K.
Open Access
Crystal structure of ethyl 1-(4-fluorophenyl)-4-phenyl-1H-pyrrole-3-carboxylate, C₁₉H₁₆FNO₂

July 14, 2021

Hong-Yu Song, Shan Liu, Bo-Nan Zhang, Qi-Di Zhong, Ya-Juan Qi

Page range: 1063-1064

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C 19 H 16 FNO 2 , monoclinic, P 2 1 / c (no. 14), a = 10.805(7) Å, b = 20.984(13) Å, c = 7.034(4) Å, β = 93.386(13)°, V = 1592.0(17), Z = 4, R gt ( F ) = 0.0561, wR ref ( F 2 ) = 0.1336, T = 296 K.
Open Access
The crystal structure of cis-diaqua-bis (N-butyl-N-(pyridin-2-yl)pyridin-2-amine-κ²N,N′)cobalt(II)] dichloride trihydrate, C₂₈H₄₄Cl₂N₆O₅Co

July 14, 2021

Orbett T. Alexander, Roger Alberto, Andreas Roodt

Page range: 1065-1068

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C 28 H 44 Cl 2 N 6 O 5 Co, triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 11.20(2) Å, b = 12.70(3) Å, c = 12.80(4) Å, α = 100.30(12)°, β = 103.18(9)°, γ = 106.77(6)°, V = 1638(8) Å 3 , Z = 2, R gt ( F ) = 0.0372, wR ref ( F 2 ) = 0.0890, T = 100 K.
Open Access
Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C₁₈H₁₇NO₃

July 13, 2021

Lei Wang, Qing-Guo Meng, Nan Jiang, Lin Wei, Chun-Hua Wang

Page range: 1069-1071

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C 18 H 17 NO 3 , monoclinic, P 2 1 / n (no. 14), a = 14.702(3) Å, b = 7.0421(11) Å, c = 15.303(3) Å, β = 113.32(2)°, V = 1454.9(5) Å 3 , Z = 4, R gt ( F ) = 0.0522, wR ref ( F 2 ) = 0.1274, T = 100.03(18) K.
Open Access
Crystal structure of (E)-2-((3-fluoropyridin-4-yl)methylene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C₁₇H₁₄FNO₂

July 14, 2021

Chen Wang, Lei Wang, Qing-Guo Meng, Zhi-Xin Huang, Nuan-Nuan Ma, Chun-Hua Wang

Page range: 1073-1075

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C 17 H 14 FNO 2 , monoclinic, P 2 1 / n (no. 14), a = 8.0937(8) Å, b = 7.1326(6) Å, c = 22.367(2) Å, β = 90.863(9)°, V = 1291.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0404, wR ref ( F 2 ) = 0.0974, T = 99.97(16) K.
Open Access
The crystal structure of 6-bromohexanoic acid, C₆H₁₁BrO₂

July 12, 2021

Lubabalo Ndima, Eric C. Hosten, Richard Betz

Page range: 1077-1078

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C 6 H 11 BrO 2 , monoclinic, P 2 1 / n (no. 14), a = 10.6730(14) Å, b = 5.2781(6) Å, c = 14.7781(18) Å, β = 109.610(4)°, V = 784.21(17) Å 3 , Z = 4, R gt ( F ) = 0.0225, wR ref ( F 2 ) = 0.0564, T = 200(2) K.
Open Access
The crystal structure of 4-chloro-thiophenol, C₆H₅ClS

July 14, 2021

Pholani Manana, Eric C. Hosten, Richard Betz

Page range: 1079-1081

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C 6 H 5 ClS, monoclinic, P 2 1 / n (no. 14), a = 5.7461(2) Å, b = 9.7601(4) Å, c = 5.7466(3) Å, β = 95.869(2)°, V = 320.59(2) Å 3 , Z = 2, R gt ( F ) = 0.0216, wR ref ( F 2 ) = 0.0545, T = 200 K.
Open Access
The crystal structure of 4-bromobenzyl chloride, C₇H₆BrCl

July 15, 2021

Pholani Manana, Eric C. Hosten, Richard Betz

Page range: 1083-1085

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C 7 H 6 BrCl, orthorhombic, Pna 2 1 (no. 33), a = 9.4506(7) Å, b = 18.1015(10) Å, c = 4.4418(3) Å, V = 759.86(9) Å 3 , Z = 4, R gt ( F ) = 0.0271, wR ref ( F 2 ) = 0.0558, T = 200(2) K.
Open Access
The crystal structure of di-tert-butyl dicarbonate, C₁₀H₁₈O₅

August 5, 2021

Pholani Manana, Eric C. Hosten, Richard Betz

Page range: 1087-1089

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C 10 H 18 O 5 , monoclinic, P 2 1 / c (no. 14), a = 11.3561(7) Å, b = 11.4569(7) Å, c = 10.9762(6) Å, β = 116.087(2)°, V = 1282.58(13) Å 3 , Z = 4, R gt ( F ) = 0.0547, wR ref ( F 2 ) = 0.1677, T = 200 K.
Open Access
The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C₁₂H₁₅ClO₃

July 15, 2021

Long-Sheng Zou, Zhong-Yan Li, Lin Yuan

Page range: 1091-1092

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C 12 H 15 ClO 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.788(2) Å, b = 11.079(4) Å, c = 18.916(7) Å, V = 1213.0(8) Å 3 , Z = 4, R gt ( F ) = 0.0559, wR ref ( F 2 ) = 0.1898, T = 296(2) K.
Open Access
The crystal structure of the co-crystal: 2-hydroxybenzoic acid – N′-(butan-2-ylidene)pyridine-4-carbohydrazide, C₁₀H₁₃N₃O·C₇H₆O₃

July 19, 2021

Itumeleng B. Setshedi, Mark G. Smith

Page range: 1093-1095

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C 10 H 13 N 3 O·C 7 H 6 O 3 , monoclinic, P 2 1 / n (no. 14), a = 7.4038(9) Å, b = 30.448(3) Å, c = 7.6744(8) Å, β = 112.013(3)°, V = 1603.9(3) Å 3 , Z = 4, R gt ( F ) = 0.0492, wR ref ( F 2 ) = 0.1384, T = 173 K.
Open Access
Crystal structure and anti-inflammatory activity of (E)-7-fluoro-2-((5-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C₁₇H₁₄FNO₂

July 29, 2021

Jia-Jia Sun, Xiao-Fan Zhang, Qing-Guo Meng, Hong-Juan Li, Chun-Hua Wang

Page range: 1097-1099

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C 17 H 14 FNO 2 , monoclinic, C 2/ c (no. 15), a = 15.5754(12) Å, b = 7.4828(6) Å, c = 23.0981(18) Å, β = 90.797(7)°, V = 2691.8(4) Å 3 , Z = 8, R gt ( F ) = 0.0442, wR ref ( F 2 ) = 0.1096, T = 100(1)° K.
Open Access
Crystal structure of (E)-7-fluoro-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C₁₇H₁₄FNO₂

July 14, 2021

Xiang-Yi Su, Xiao-Fan Zhang, Qing-Guo Meng, Hong-Juan Li

Page range: 1101-1103

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C 17 H 14 FNO 2 , monoclinic, P 2 1 / c (no. 15), a = 7.3840(6) Å, b = 10.9208(8) Å, c = 16.7006(15) Å, β = 101.032(9)°, V = 1321.84(19) Å 3 , Z = 4, R gt ( F ) = 0.0589, wR ref ( F 2 ) = 0.1561, T = 100.00(18) K.
Open Access
Crystal structure of 1,1′-(butane-1,4-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C₃₂H₅₆F₂₄N₈P₄

July 15, 2021

Yao-Hong Zhou, Xu-Liang Nie, Wan-Ming Xiong, Da-Yong Peng, Xiao-Hua Zhang

Page range: 1105-1107

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C 32 H 56 F 24 N 8 P 4 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 8.6769(13) Å, b = 9.8858(14) Å, c = 14.510(2) Å, α = 102.564(2)°, β = 94.461(3)°, γ = 92.152(3)°, V = 81.710(2) Å 3 , Z = 1, R gt ( F ) = 0.0692, wR ref ( F 2 ) = 0.2245, T = 296(2) K.
Open Access
The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ²)-cadmium(II), C₁₄H₂₀CdCl₂N₄O₄

July 14, 2021

Fei Yang, Zongwei Wang, Pengju Liu, Libing Guo, Dong Xian

Page range: 1109-1111

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C 14 H 20 CdCl 2 N 4 O 4 , monoclinic, P 2 1 / n (no. 14), a = 8.261(3) Å, b = 16.390(5) Å, c = 13.967(4) Å, β = 95.850(4)°, V = 1881.3(10) Å 3 , Z = 4, R gt ( F ) = 0.0342, wR ref ( F 2 ) = 0.0873, T = 296 K.
Open Access
Crystal structure of 1-(2-cyanobenzyl)-3-cyano-4-phenyl-4-(2-cyanobenzyl)-1,4-dihydropyridine monohydrate, C₅₆H₄₂N₈O

July 23, 2021

Yi-Da Li, Zhi-Qiang Song, Zhi-Wei Yue, Qi-Di Zhong, Ya-Juan Qi

Page range: 1113-1114

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C 56 H 42 N 8 O, orthorhombic, Pbcn (no. 60), a = 17.885(3) Å, b = 15.647(2) Å, c = 16.189(2) Å, V = 4530.4(11) Å 3 , Z = 4, R gt ( F ) = 0.0464, wR ref ( F 2 ) = 0.1219, T = 296.15 K.
Open Access
The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C₇H₉N₂O₂Cl

July 15, 2021

Wenqi Song, Miaoxiu Yang, Liwei Qian, Zongcheng Miao

Page range: 1115-1116

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C 7 H 9 N 2 O 2 Cl, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.6321(3) Å, b = 7.5132(4) Å, c = 24.7605(14) Å, V = 861.71(9) Å 3 , Z = 4, R gt ( F ) = 0.0257, wR ref ( F 2 ) = 0.0653, T = 193 K.
Open Access
The crystal structure of adamantylmethoxydiphenylsilane, C₂₃H₂₈OSi

July 12, 2021

Jonathan O. Bauer

Page range: 1117-1120

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C 23 H 28 OSi, monoclinic, P 2 1 / c (no. 14), a = 14.2882(11) Å, b = 17.8169(10) Å, c = 7.6201(6) Å, β = 103.780(8)°, V = 1884.0(2) Å 3 , Z = 4, R gt ( F ) = 0.0538, wR ref ( F 2 ) = 0.1241, T = 173(2) K.
Open Access
Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C₂₂H₂₄N₄

July 21, 2021

Lucky Dey, Saswata Rabi, Zinnat A. Begum, Tsugiko Takase, Ismail M. M. Rahman, Edward R. T. Tiekink, Tapashi Ghosh Roy

Page range: 1121-1124

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C 22 H 24 N 4 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 9.217(4) Å, b = 9.774(4) Å, c = 10.843(4) Å, α = 96.770(2)°, β = 101.791(5)°, γ = 105.873(3)°, V = 903.9(6) Å 3 , Z = 2, R gt ( F ) = 0.0391, wR ref ( F 2 ) = 0.1069, T = 93(2) K.
Open Access
Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C₁₇H₁₅NO₃

August 2, 2021

Lun-Hai Liang, Feng-Lan Zhao, Qing-Guo Meng

Page range: 1125-1127

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C 17 H 15 NO 3 , triclinic, P 1 ‾ $P‾{1}$ (no. 2), a = 7.5016(4) Å, b = 13.6750(8) Å, c = 14.8557(9) Å, α = 115.469(6)°, β = 91.726(5)°, γ = 97.325(5)°, V = 1358.48(15) Å 3 , Z = 4, R gt ( F ) = 0.0442, wR ref ( F 2 ) = 0.1095, T = 100 K.
Open Access
Crystal structure of catena-poly[diaqua-bis(μ₂-1,3-di(1H-imidazol-1-yl)propane-κ² N:N′)cobalt(II)] dinitrate, C₁₈H₂₈N₁₀O₈Co

July 19, 2021

Jie Liu, Peng Jiang, Xiao-Ming Yang, Jiu-Fu Lu

Page range: 1129-1130

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C 18 H 28 N 10 O 8 Co, monoclinic, P 2 1 / c (no. 14), a = 9.2248(5) Å, b = 13.3140(8) Å, c = 10.6132(6) Å, β = 109.348(7)°, V = 1229.89(13) Å 3 , Z = 2, R gt ( F ) = 0.0336, w R ref ( F 2 ) = 0.1078, T = 293(2) K.

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