Zeitschrift für Kristallographie - New Crystal Structures

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Volume 236, Issue 3

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

April 14, 2021

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New Crystal Structures
Open Access
The crystal structure of bis(μ₂-5-chloro-2-oxido-N-(1-oxidoethylidene)benzohydrazonato-κ⁵N,O,O′:N′,O′′)hexkis(pyridine-κ¹N)trinickel(II) - pyridine (1/1), C₆₃H₅₇Cl₂N₁₃Ni₃O₆

January 22, 2021

Liguo Yang, Xin Wang, Dan Luo, Nana Liu, Dayong Tian

Page range: 487-490

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C 63 H 57 Cl 2 N 13 Ni 3 O 6 , monoclinic, P21/c$P{2}_{1}/c$, a = 16.136(4) Å, b = 16.432(4) Å, c = 23.881(6) Å, β = 101.900(3)°, V = 6196(3) Å 3 , Z = 4, R gt ( F ) = 0.0461, wR ref ( F 2 ) = 0.1357, T = 298 K [1], [2], [3].
Open Access
Crystal structure of [(μ₂-succinato κ³O,O′:O′′)-bis-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)]dinickel(II)] diperchlorate, dihydrate C₃₆H₈₂Cl₂N₈Ni₂O₁₅

January 22, 2021

Wen-Yi Li, Guang-Chuan Ou

Page range: 491-493

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C 36 H 82 Cl 2 N 8 Ni 2 O 15 , monoclinic, P 2 1 / n (no. 14), a = 17.657(3) Å, b = 16.047(3) Å, c = 18.346(3) Å, β = 109.062(4)°, V = 4913.2(16) Å 3 , Z = 4, R gt ( F ) = 0.0561, wR ref ( F 2 ) = 0.1664, T = 173(2) K.
Open Access
Crystal structure of catena-poly[aquabis(3-nitrobenzoato-κ²O:O′)-(μ₂-pyrazine-N: N′)cadmium(II)], C₁₈H₁₄N₄O₉Cd

January 28, 2021

Si-Yuan Chang, Bing-Feng Li

Page range: 495-497

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C 18 H 14 N 4 O 9 Cd, monoclinic, C 2/ c (no. 15), a = 22.390(4) Å, b = 6.2758(13) Å, c = 14.962(3) Å, β = 104.15(3)°, V = 7700.2(10) Å 3 , Z = 4, R gt ( F ) = 0.0238, wR ref ( F 2 ) = 0.0539, T = 293 K.
Open Access
Crystal structure of 4-(2,2-difluoroethyl)-2,4,6-trimethylisoquinoline-1,3(2H,4H)-dione, C₁₄H₁₅F₂NO₂

January 21, 2021

Huixing Li, Xinlong Han, Bin Cao

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C 14 H 15 F 2 NO 2 , monoclinic, P 2 1 / c (no. 14), a = 11.5474(10) Å, b = 11.0737(7) Å, c = 11.4311(10) Å, β = 114.979(11)°, V = 1325.0(2) Å 3 , Z = 4, R gt ( F ) = 0.0738, wR ref ( F 2 ) = 0.2034, T = 293(2) K.
Open Access
The crystal structure of thioxanthen-9-one-10,10-dioxide, C₁₃H₈O₃S – a second polymorph

February 15, 2021

Eric C. Hosten, Richard Betz

Page range: 503-505

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C 13 H 8 O 3 S, monoclinic, C 2/ c (no. 15), a = 9.7499(3) Å, b = 12.9758(4) Å, c = 8.2681(3) Å, β = 103.784(2)°, V = 1015.90(6) Å 3 , Z = 4, R gt ( F ) = 0.0318, wR ref ( F 2 ) = 0.0927, T = 200 K.
Open Access
Crystal structure of (E)-2-((2-methoxy-3-pyridyl)methylene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one, C₁₇H₁₄FNO₂

January 28, 2021

Xiao-Fan Zhang, Qing-Guo Meng

Page range: 507-509

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C 17 H 14 FNO 2 , monoclinic, P 2 1 / c (no. 14), a = 14.0279(13) Å, b = 7.0527(5) Å, c = 14.4150(16) Å, β = 113.165(12)°, V = 1311.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0524, wR ref ( F 2 ) = 0.1358, T = 100 K.
Open Access
The crystal structure of diaquahydrogen 2,5-dimethylbenzenesulphonate, C₈H₁₄O₅S

February 12, 2021

Eric C. Hosten, Richard Betz

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C 8 H 14 O 5 S, monoclinic, P 2 1 (no. 4), a = 6.3783(4) Å, b = 8.2630(5) Å, c = 10.5891(7) Å, β = 90.877(2)°, V = 558.02(6) Å 3 , Z = 2, R gt ( F ) = 0.0254, wR ref ( F 2 ) = 0.0715, T = 200 K.
Open Access
The crystal structure of N-(4-(cyclohexylimino)pent-2-en-2-yl)cyclohexanamine, C₁₇H₃₀N₂

February 15, 2021

Eric C. Hosten, Richard Betz

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C 17 H 30 N 2 , tetragonal, P4‾$P‾{4}$2 1 m (no. 113), a = 8.6755(3) Å, c = 11.1611(4) Å, V = 840.03(7) Å 3 , Z = 2, R gt ( F ) = 0.0488, wR ref ( F 2 ) = 0.1417, T = 200 K.
Open Access
The twinned crystal structure of 1,3-phenylenedimethanaminium dibromide, C₈H₁₄Br₂N₂

January 18, 2021

Niklas Brandt, Guido J. Reiss

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C 8 H 14 Br 2 N 2 , monoclinic, I 2/ a (no. 15), a = 9.0331(9) Å, b = 13.4475(14) Å, c = 27.586(3) Å, β = 94.879(9)°, Z = 12, V = 3338.8(6) Å 3 , R gt ( F ) = 0.0582, wR ref = 0.0885, T = 290 K.
Open Access
Crystal structure of 2,4,7,9-tetranitro-10H-benzofuro[3,2-b]indole – dimethyl sulfoxide (1/1), C₁₆H₁₁N₅O₁₀S

January 25, 2021

Huizhi Cao, Mi Yan, Shiliang Huang, Xuan He, Xiong Cao

Page range: 523-525

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C 16 H 11 N 5 O 10 S, triclinic, P1‾$P‾{1}$ (no. 2), a = 4.6658(1) Å, b = 12.2129(4) Å, c = 17.0355(5) Å, α = 74.925(2)°, β = 86.398(2)°, γ$\gamma $ = 88.040(2)°, V = 935.31(5) Å 3 , Z = 2, R gt ( F ) = 0.0642, wR ref ( F 2 ) = 0.1744, T = 295 K.
Open Access
Crystal structure of 2,6-bis(2-(pyridin-3-yl)ethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone, C₂₄H₁₈N₄O₄

January 18, 2021

Yu Jeong Jeong, Juhyeon Park, Ahreum Min, Tae Ho Kim, Myong Yong Choi

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C 24 H 18 N 4 O 4 , monoclinic, P 2 1 / c (no. 14), a = 16.5930(5) Å, b = 5.7298(2) Å, c = 20.8714(6) Å, β = 99.8620(10)°, V = 1955.02(11) Å 3 , Z = 4, R gt ( F ) = 0.0415, wR ref ( F 2 ) = 0.1115, T = 193 K.
Open Access
The crystal structure of 3,4-dichlorobenzoic acid chloride, C₇H₃Cl₃O

February 12, 2021

Eric C. Hosten, Richard Betz

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C 7 H 3 Cl 3 O, monoclinic, P 2 1 / c (no. 14), a = 12.0518(15) Å, b = 9.7403(11) Å, c = 6.9562(9) Å, β = 99.047(4)°, V = 806.42(17) Å 3 , Z = 4, R gt ( F ) = 0.0316, wR ref ( F 2 ) = 0.0793, T = 200 K.
Open Access
Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-k²S:S)zinc(II), C₂₆H₁₈N₆ZnS₄

January 20, 2021

Wei-Hong Yan, Xue-Guo Liu, Ming-Le Shen, Hui-Yan Pan

Page range: 533-535

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C 26 H 18 N 6 ZnS 4 , triclinic, P1‾$P‾{1}$ (no. 2), a = 9.4677(13) Å, b = 12.0147(17) Å, c = 13.571(3) Å, α = 102.907(3)°, β = 102.302(3)°, γ = 110.419(2)°, V = 1336.7(4) Å 3 , Z = 2, R gt ( F ) = 0.0441, wR ref ( F 2 ) = 0.1202, T = 296(2) K.
Open Access
Crystal structure of tetrakis(μ-naphthalene-1-carboxylato-κ²O,O′)bis(methanol)copper(II), C₄₆H₃₆Cu₂O₁₀

January 20, 2021

Li‐Qin Shi

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C 46 H 36 Cu 2 O 10 , monoclinic, C 2/ c (no. 15), a = 32.663(7) Å, b = 7.4214(15) Å, c = 21.785(4) Å, β = 131.68(3)°, V = 3944.0(19) Å 3 , Z = 4, R gt ( F ) = 0.0478, wR ref ( F 2 ) = 0.1583, T = 295 K.
Open Access
Crystal structure of 9-methyl-3-methylene-1,2,3,9-tetrahydro-4H-carbazol-4-one, C₁₄H₁₃NO

March 3, 2021

Yu-Jing Ke, Peng-Jie Liang, Peng-Cheng Wang, Shao-Hua Xian, Guo-Qiang Li

Page range: 541-542

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C 14 H 13 NO, monoclinic, P 2 1 / n (no. 14), a = 9.2770(7) Å, b = 8.4582(6) Å, c = 13.4430(12) Å, β = 98.199(8)°, V = 1044.05(14) Å 3 , Z = 4, R gt ( F ) = 0.0484, wR ref ( F 2 ) = 0.1151, T = 100 K.
Open Access
Crystal structure of bis(amino(carbamothioylamino)methaniminium) 3-nitrophthalate monohydrate, C₁₂H₁₉N₉O₇S₂

March 3, 2021

Peizhi Wang, Rui Wang, Tingting Zhang

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C 12 H 19 N 9 O 7 S 2 , monoclinic, P 2 1 / n (no. 14), a = 7.3376(8) Å, b = 37.536(4) Å, c = 7.7149(8) Å, β = 117.1190(10)°, V = 1891.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0453, wR ref ( F 2 ) = 0.1321, T = 298 K.
Open Access
Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate), C₁₈H₂₄F₁₂N₄P₂

January 28, 2021

Wen Zhao, Xin-Ting Liu, Su-Qin Wu, Wan-Ming Xiong, Xu-Liang Nie

Page range: 545-547

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C 18 H 24 F 12 N 4 P 2 , monoclinic, P 2 1 / n (no. 14), a = 8.3185(9) Å, b = 21.883(2) Å, c = 13.4345(15) Å, β = 103.4730(10)°, V = 2378.3(5) Å 3 , Z = 4, R gt ( F ) = 0.0531, wR ref ( F 2 ) = 0.1424, T = 296(2) K.
Open Access
The crystal structure of 5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one– rubrofusarin B, C₁₆H₁₄O₅

February 15, 2021

Ting-Guang Zou, Si-Yu Guo, Jing-Lin Zhu, Sheng Wang, Ling-Yin Lin, Yi-Wen Tao

Page range: 549-550

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C 16 H 14 O 5 , monoclinic, P 2 1 / c (no. 14), a = 9.0005(11) Å, b = 16.0386(15) Å, c = 9.8434(11) Å, β = 114.861(14)°, V = 1289.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0458, wR ref ( F 2 ) = 0.1245, T = 150(1) K.
Open Access
The crystal structure of bis(ethanol-kO)- bis(6-aminopicolinato-k²N,O)manganese(II), C₁₆H₂₂O₆N₄Mn

February 1, 2021

Tai Xi-Shi, Zhang Li-Li, Liu Li-Li, Cao Shu-Hua, Wang Li-Hua

Page range: 551-552

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C 16 H 22 O 6 N 4 Mn, triclinic, P1‾$P‾{1}$ (no. 2), a = 7.4412(6) Å, b = 8.2273(7) Å, c = 8.6693(7) Å, α = 72.516(7)°, β = 76.827(7)°, γ = 63.444(9)°, V = 450.08(7) Å 3 , Z = 1, R gt ( F ) = 0.0378, wR ref ( F 2 ) = 0.0755, T = 150(1) K.
Open Access
The crystal structure of 3,3′-((carbonylbis(azanediyl))bis(ethane-2,1-diyl)) bis(1-methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate, C₂₁H₂₈N₆O₃B₂F₈

February 1, 2021

Zhi-Yun Dong, Fu-Gui Xi, Xing-Yu Xu

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C 21 H 28 N 6 O 3 B 2 F 8 , orthorhombic, Pccn (no. 56), a = 17.7949(19) Å, b = 9.3979(10) Å, c = 15.3455(16) Å, V = 2566.3(5) Å 3 , Z = 4, R gt ( F ) = 0.0567, wR ref ( F 2 ) = 0.1846, T = 296(2) K.
Open Access
Crystal structure of dimethanol-dichlorido-bis( μ₂-2-(((1,5-dimethyl-3-oxo-2- phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato- κ⁴O:O,O′,N)dinickel (II), C₂₀H₂₄ClNiN₃O₄

February 15, 2021

Long Gu, Haixia Pang, Qiang Tang, Jie Min, Li Ma, Peiran Pan

Page range: 557-559

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C 20 H 24 ClNiN 3 O 4 , monoclinic, P 2 1 / c (no. 14), a = 10.3831(7) Å, b = 17.0139(12) Å, c = 12.2649(9) Å, β = 102.6230(10)°, V = 2114.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0318, wR ref ( F 2 ) = 0.1066, T = 298(2) K.
Open Access
The crystal structure of methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate, C₇H₆F₃NO₂

February 1, 2021

De-Zheng Yang, Ting Gao, Chun-Shen Zhao, Hui-Fang Chai

Page range: 561-563

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C 7 H 6 F 3 NO 2 , monoclinic, P 2 1 / c (no. 14), a = 11.3688(4) Å, b = 10.6836(3) Å, c = 14.4518(5) Å, β = 112.5320(10)°, V = 1621.32(9) Å 3 , Z = 8, R gt ( F ) = 0.0554, wR ref ( F 2 ) = 0.1647, T = 170 K.
Open Access
Crystal structure of (OC‐6‐13)‐aqua‐tris (3‐bromopyridine‐κ¹N)‐bis(trifluoroacetato‐κ¹O)cadmium(II) C₁₉H₁₄Br₃CdF₆N₃O₅

February 1, 2021

Lan Zhang, Lu Wang, Wu-Xiu Ding, Qiang Wang, Meng-Juan Chen

Page range: 565-567

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C 19 H 14 Br 3 CdF 6 N 3 O 5 , triclinic, P 1‾$‾{1}$ (no. 2), a = 9.2591(4) Å, b = 9.6573(5) Å, c = 16.9256(9) Å, α = 102.707(2) Å, β = 96.854(2) Å, γ = 112.550(2) Å, V = 1328.20(12) Å 3 , Z = 2, R gt ( F 2 ) = 0.0291, wR ref ( F 2 ) = 0.0625, T = 150.15 K.
Open Access
Crystal structure of methyl (E)-3-(4-(2-ethoxy-2-oxoethoxy)phenyl) acrylate, C₁₄H₁₆O₅

February 1, 2021

Guo Chun-Mei, Yi Lu-Yao, Pan Lei, You Yuan, Nie Xu-Liang

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C 14 H 16 O 5 , triclinic, P 1‾$‾{1}$ (no. 2), a = 8.5293(8) Å, b = 11.5626(11) Å, c = 14.2196(13) Å, α = 88.888(10)°, β = 74.988(10)°, γ = 87.556(10)°, V = 1353.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0430, wR ref ( F 2 ) = 0.1202, T = 296(2) K.
Open Access
Crystal structure of methyl 4-acetoxy-3,5-dimethoxybenzoate, C₁₂H₁₄O₆

February 3, 2021

Chun-Lan Xiong, Ying-Dong Lan, Xiu-Ying Song, Wan-Ming Xiong, Xu-Liang Nie

Page range: 573-575

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C 12 H 14 O 6 , orthorhombic, Pbca (no. 61), a = 18.0207(13) Å, b = 7.6885(5) Å, c = 18.2326(13) Å, V = 2526.2(3) Å 3 , Z = 8, R gt ( F ) = 0.0411, wR ref ( F 2 ) = 0.1214, T = 296(2) K.
Open Access
The crystal structure of 2-(1H-benzimidazol-2-yl)-3-bromo-5-chlorophenol, C₁₃H₈BrClN₂O

February 11, 2021

Weili Li, Bo Yang

Page range: 577-578

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C 13 H 8 BrClN 2 O, ( M = 323.57 g/mol), monoclinic, P 2 1 / c (no. 14), a = 11.7584(5) Å, b = 7.4336(3) Å, c = 14.1134(6) Å, β = 104.861(2)°, V = 1192.35(9) Å 3 , Z = 4, R gt ( F ) = 0.0301, wR ref ( F 2 ) = 0.0794, T = 150.0 K.
Open Access
The crystal structure of bis(μ₂-5-chloro-N-(2-methyl-1-oxidopropylidene)-2-oxidobenzohydrazonate-κ⁵N,O,O′:N′,O′′)pentakis(pyridine-κ¹N)tricopper(II), C₄₇H₄₅Cl₂N₉Cu₃O₆

February 12, 2021

Yang Liguo, Zhang Chaoyang, Wang Kai, Zhai Shengxian, Liu Nana

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C 47 H 45 Cl 2 N 9 Cu 3 O 6 , monoclinic, C 2/ c (no. 15), a = 24.084(9) Å, b = 12.152(5) Å, c = 17.404(7) Å, β = 109.984(4)°, V = 4787(3) Å 3 , Z = 4, R gt ( F ) = 0.0455, wR ref ( F 2 ) = 0.1363, T = 298 K.
Open Access
Synthesis and crystal structure of catena-poly[aqua-bis(nitrato-κ²O:O′)- (μ₂-((1 H-imidazol-1-yl)methyl)benzene-κ² N,N′)-H₂O-κ²O]cadmium(II), C₁₄H₁₆N₆O₇Cd

February 11, 2021

Cong-Cong Meng, Jing-Xian He, Hao Gou

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C 14 H 16 N 6 O 7 Cd, monoclinic, P 2 1 / c (no. 14), a = 12.7095(3) Å, b = 17.4705(4) Å, c = 8.5763(3) Å, β = 93.292(10)°, Z = 4, V = 1901.15(9) Å 3 , R gt ( F ) = 0.0263, wR ref ( F 2 ) = 0.1047, T = 296(2) K.
Open Access
The crystal structure of pentakis(carbonyl)-{μ-[2,3-bis(sulfanyl)propan-1-olato]}-(triphenylphosphane)diiron (Fe–Fe)C₂₆H₂₁Fe₂O₆PS₂

February 8, 2021

Wei Gao, Yan-Jie Bai, Jia-Le Mao, Xue-Quan Guo

Page range: 587-589

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C 26 H 21 Fe 2 O 6 PS 2 , monoclinic, P 2 1 / c (no. 14), a = 9.0892(6) Å, b = 27.6631(18) Å, c = 11.3409(8) Å, β = 106.409(2)°, V = 2735.4(3) Å 3 , Z = 4, R gt ( F ) = 0.0670, wR ref ( F 2 ) = 0.1620, T = 296(2) K.
Open Access
Crystal structure of ethyl-2-(3-benzoylthioureido)propanoate, C₁₃H₁₆N₂O₃S

February 17, 2021

Yan Yi Chong, Wun Fui Mark-Lee, Mohamed Ibrahim Mohamed Tahir, Mohammad B. Kassim

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C 13 H 16 N 2 O 3 S, triclinic, P1‾$P\bar{1}$ (no. 2), a = 8.1998(4) Å, b = 9.1320(4) Å, c = 10.7062(6) Å, α = 106.183(5)°, β = 111.506(5)°, γ = 97.589(4)°, V = 691.27(7) Å 3 , Z = 2, R gt ( F ) = 0.0346, wR ref ( F 2 ) = 0.0957, T = 293(2) K.
Open Access
Crystal structure of 2-methoxy-4b,5,14,15-tetrahydro-6H-isoquinolino[2′,1′:1,6] pyrazino[2,3-b]quinoxaline, C₁₉H₁₈N₄O

February 11, 2021

Yan Rong Dan, Lin Ling Gan, Yu Yu

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C 19 H 18 N 4 O, monoclinic, P 2 1 / c (no. 14), a = 11.3744(16) Å, b = 13.7367(15) Å, c = 11.208(2) Å, β = 118.51(2)°, V = 1538.9(5) Å 3 , Z = 4, R gt ( F ) = 0.0494, wR ref ( F 2 ) = 0.1327, T = 100(2) K.
Open Access
Crystal structure of 2,2′-[ethane-1,2-diylbis(azanylylidenemethylylidene)]bis(6-chlorophenol), C₁₆H₁₄Cl₂N₂O₂

February 11, 2021

Weili Li, Bo Yang

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C 16 H 14 Cl 2 N 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 6.8492(14) Å, b = 11.515(2) Å, c = 10.018(2) Å, β = 107.11(3)°, V = 755.2(3) Å 3 , Z = 2, R gt ( F ) = 0.0592, wR ref ( F 2 ) = 0.1369, T = 293(2) K.
Open Access
The crystal structure of (Z)-3-((2-(2-(2-aminophenoxy)ethoxy)phenyl)amino)-1-phenylbut-2-en-1-one, C₂₄H₂₄N₂O₃

February 23, 2021

Weilian Zhang, Zhenyu Zuo, Chen Yanhui, Liu Bin

Page range: 601-603

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C 24 H 24 N 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 13.674(3) Å, b = 7.3900(14) Å, c = 20.862(4) Å, β = 106.728(7)°, V = 2018.9(7) Å 3 , Z = 4, R gt ( F ) = 0.0633, wR ref ( F 2 ) = 0.1804, T = 293 K.
Open Access
The crystal structure of 10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine dihydrate, C₂₈H₂₃N₃O₃

February 17, 2021

Zhuqing Yang, Meng Hou

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C 28 H 23 N 3 O 3 , orthorhombic, Pna 2 1 (no. 33), a = 29.0466(11) Å, b = 5.2448(3) Å, c = 14.4825(7) Å, V = 2206.32(19) Å 3 , Z = 4, R gt ( F ) = 0.0511, wR ref ( F 2 ) = 0.1341, T = 100.00(10) K.
Open Access
Crystal structure of poly[dipoly[aqua-di(µ₂-pyrazin-2-olato-κ²N:N′) zinc(II)], C₈H₈N₄O₃Zn

February 24, 2021

Huan Zheng, Sisi Feng, Liping Lu

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C 8 H 8 N 4 O 3 Zn, tetragonal, P4‾c2$P‾{4}c2$ (no. 116), a = 7.340(1) Å, c = 18.285(4) Å, V = 985.1(3) Å 3 , Z = 4, R gt ( F ) = 0.0404, ωR ref ( F 2 ) = 0.1214, T = 100 K.
Open Access
Crystal structure of poly[tetra(μ₂-cyanido-κ²N:O)-bis(N,N-dimethylformamide-κO)-manganese(II)-platinum(II)], C₁₀H₁₄MnN₆O₂Pt

February 11, 2021

Kwang Ha

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C 10 H 14 MnN 6 O 2 Pt, monoclinic, C 2/ m (no. 12), a = 15.8030(7) Å, b = 7.6794(3) Å, c = 7.0970(3) Å, β = 110.8462(17)°, V = 804.89(6) Å 3 , Z = 2, R gt ( F ) = 0.0108, wR ref ( F 2 ) = 0.0266, T = 223 K.
Open Access
The crystal structure of aqua-chlorido-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dichlorophenolato-κ⁴N,N′,O,O′)manganese(III), C₁₆H₁₂Cl₅MnN₂O₃

March 4, 2021

Dian Liu, Guojun Yu

Page range: 615-617

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C 16 H 12 Cl 5 MnN 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 12.3098(5) Å, b = 13.1697(5) Å, c = 12.4555(6) Å, β = 117.159(1)°, V = 1796.60(13) Å 3 , Z = 4, R gt ( F ) = 0.0591, wR ref ( F 2 ) = 0.1315, T = 150 K.
Open Access
Crystal structure of [di(µ₂-cyanido)-dicyanido-bis(dimethyl sulfoxide-κO)- bis(2,2′-(ethane-1,2-diylbis(azanylylidenemethanylylidene))diphenolato-κ⁴,N,N′,O,O′)- dimanganese(III)-platinum(II)], C₄₀H₄₀Mn₂N₈O₆PtS₂

February 15, 2021

Kwang Ha

Page range: 619-621

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C 40 H 40 Mn 2 N 8 O 6 PtS 2 , monoclinic, P 2 1 / n (no. 14), a = 10.5707(3) Å, b = 18.5331(5) Å, c = 12.0293(3) Å, β = 114.6276(10)°, V = 2142.26(10) Å 3 , Z = 2, R gt ( F ) = 0.0148, wR ref ( F 2 ) = 0.0380, T = 223 K.
Open Access
The crystal structure of (azido)-κ¹N-6,6′-((cyclohexane-1,2-diylbis(azanylylidene)) bis(methanylylidene))bis(3-bromophenolato-κ⁴N,N,O,O)-(methanol)-manganese(III)–methanol(1/1), C₂₂H₂₆Br₂MnN₅O₄

March 8, 2021

Dian Liu, Xun Ma

Page range: 623-625

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C 22 H 26 Br 2 MnN 5 O 4 , monoclinic, P 2 1 / n (no. 14), a = 8.0106(4) Å, b = 14.5925(7) Å, c = 21.0425(11) Å, β = 100.330(2)°, V = 2419.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0372, wR ref ( F 2 ) = 0.0766, T = 296.15 K.
Open Access
Crystal structure of 7-chloro-N-(4-iodobenzyl)-1,2,3,4-tetrahydroacridin-9-amine, C₂₀H₁₈ClIN₂

February 15, 2021

Luo Juan, Gu Jia, Wang Jie, Liu Li-Hui, Peng Da-Yong

Page range: 627-629

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C 20 H 18 ClIN 2 , monoclinic, P 2 1 / n (no. 14), a = 9.5271(19) Å, b = 16.936(3) Å, c = 12.012(2) Å, β = 105.06(3)°, V = 1871.5(7) Å 3 , Z = 4, R gt ( F ) = 0.0436, wR ref ( F 2 ) = 0.1396, T = 296(2) K. CCDC no.: 2059378
Open Access
Crystal structure of catena-poly[(1,4,8,11-tetraazacyclotetradecane-κ⁴N,N′,N″,N′′′)-bis(μ₂-thiocyanato-κ²N:S)-bis(thiocyanato-κS)-nickel(II)palladium(II)], C₁₄H₂₄N₈NiPdS₄

February 15, 2021

Kwang Ha

Page range: 631-633

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C 14 H 24 N 8 NiPdS 4 , triclinic, P1‾$P‾{1}$ (no. 2), a = 12.0330(8) Å, b = 12.0959(8) Å, c = 15.9551(12) Å, α = 85.768(3)°, β = 71.917(3)°, γ = 87.899(3)°, V = 2201.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0379, wR ref ( F 2 ) = 0.0973, T = 223 K.
Open Access
Crystal structure of 3-chloro-4-(4-ethylpiperazin-1-yl)aniline monohydrate, C₁₂H₂₀ClN₃O

February 15, 2021

Jia Gu, Jin-Zhu Chen, Xu-Liang Nie, Guo-Ping Huang, Jian-Ping Huang

Page range: 635-637

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C 12 H 20 ClN 3 O, monoclinic, C 2/ c (no. 15), a = 27.228(5) Å, b = 11.380(2) Å, c = 9.3775(16) Å, β = 95.733(2)°, V = 2891.1(9) Å 3 , Z = 8, R gt ( F ) = 0.0372, wR ref ( F 2 ) = 0.1058, T = 296(2) K.
Open Access
Crystal structure of the 2D coordination polymer poly[diaqua-bis(μ₂-3- methoxyisonicotinato-κ²N:O)cobalt(II)] — dimethylformamide (1/1), C₂₀H₃₀CoN₄O₁₀

February 15, 2021

Xiao‐Tian Sun

Page range: 639-641

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C 20 H 30 CoN 4 O 10 , monoclinic, C 2/ c (no. 15), a = 13.4752(4) Å, b = 12.8563(3) Å, c = 15.0144(5) Å, β = 113.429(4)°, V = 2386.66(14) Å 3 , Z = 4, R gt ( F ) = 0.0291, wR ref ( F 2 ) = 0.0719, T = 293(2) K.
Open Access
Crystal structure of 4-[(5-chloro-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione, C₁₂H₁₃ClN₄OS

February 15, 2021

Mengyuan Niu, Caixia Yuan

Page range: 643-645

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C 12 H 13 ClN 4 OS, triclinic, P 1‾$‾{1}$ (no. 2), a = 7.875(4) Å, b = 13.165(6) Å, c = 13.295(6) Å, α = 97.199(8)°, β = 93.065(9)°, γ = 95.187(8)°, V = 1359.0(11) Å 3 , Z = 4, R gt ( F ) = 0.0638, ωR ref ( F 2 ) = 0.2097, T = 296(2) K.
Open Access
Crystal structure of N-(5-(2-(benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide, C₃₃H₃₆N₂O₄

March 1, 2021

Qin-Juan Xu

Page range: 647-649

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C 33 H 36 N 2 O 4 , orthorhombic, Pbca (no. 61), a = 15.3543(17) Å, b = 14.7958(17) Å, c = 25.496(3) Å, V = 5792.1(11) Å 3 , Z = 8, R gt ( F ) = 0.0490, wR ref ( F 2 ) = 0.1402, T = 296(2) K.
Open Access
Crystal structure of 3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C₉H₁₂O₅

March 5, 2021

Xuehui Hou, Qinglong Wang, Jianling Wang, Aiqin Li, Degang Ding, Quanjian Lv

Page range: 651-652

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C 9 H 12 O 5 , triclinic, P1‾$P‾{1}$ (no. 2), a = 5.6537(6) Å, b = 7.7954(8) Å, c = 10.6841(9) Å, α = 102.238(8)°, β = 95.381(8)°, γ = 90.940(9)°, V = 457.83(8) Å 3 , Z = 2, R gt ( F ) = 0.0673, wR ref ( F 2 ) = 0.2279, T = 293(2) K.
Open Access
The crystal structure of 1-((dimethylamino)(3-nitrophenyl)methyl)naphthalen-2-ol, C₁₉H₁₈N₂O₃

February 24, 2021

Chao Zhu, Wenxiang Wang

Page range: 653-655

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C 19 H 18 N 2 O 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 9.5079(19) Å, b = 18.423(4) Å, c = 19.018(4) Å, V = 3331.4(12) Å 3 , Z = 8, R gt ( F ) = 0.0555, wR ref ( F 2 ) = 0.1275, T = 293 K.
Open Access
Crystal structure of catena-poly[di(μ₂-cyanido-κ²C:N)-dicyanido-tetrakis(dimethyl sulfoxide-κO)-manganese(II)-platinum(II)], C₁₂H₂₄MnN₄O₄PtS₄

February 25, 2021

Kwang Ha

Page range: 657-658

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C 12 H 24 MnN 4 O 4 PtS 4 , triclinic, P1‾$P\bar{1}$ (no. 2), a = 7.5234(2) Å, b = 9.2143(2) Å, c = 9.4188(2) Å, α = 68.9266(7)°, β = 76.5614(8)°, γ = 85.8639(8)°, V = 592.54(2) Å 3 , Z = 1, R gt ( F ) = 0.0175, wR ref ( F 2 ) = 0.0409, T = 223 K.
Open Access
Crystal structure of 4-amino-N-(2-pyrimidinyl)benzenesulfonamide–1,4-dioxane (1/1), C₁₄H₁₈N₄O₄S

February 25, 2021

Ruonan Wang, Tianyu Heng, Dezhi Yang, Li Zhang, Yang Lu

Page range: 659-661

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C 14 H 18 N 4 O 4 S, triclinic, P1‾$P\bar{1}$ (no. 2), a = 9.027(1) Å, b = 10.658(1) Å, c = 16.358(1) Å, α = 90.083(6)°, β = 92.278(6)°, γ = 103.085(6)°, V = 1531.66(19) Å 3 , Z = 4, R gt ( F ) = 0.0419, wR ref ( F 2 ) = 0.1175, T = 110.9(3) K.
Open Access
Crystal structure of bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-(2-methyl-imidazol)}di-chloridomercury(II), [Hg(C₁₁H₁₁N₅)₂Cl₂], C₂₂H₂₂N₁₀Cl₂Hg

March 11, 2021

Hai-Yan Yang, Yao-Min Zhao, Hui Li, Hong-Fang Wang, Ying-Hua Li, Fang He

Page range: 663-665

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C 22 H 22 N 10 Cl 2 Hg, triclinic, P1‾$P‾{1}$ (no. 2), a = 8.2034(4) Å, b = 12.7859(7) Å, c = 13.5026(7) Å, α = 66.069(5)°, β = 79.964(4)°, γ = 84.465(4)°, V = 1274.18(12) Å 3 , Z = 2, R gt ( F ) = 0.0372, ωR ref ( F 2 ) = 0.0670, T = 291.15 K.
Open Access
Crystal structure of 2, 3-bis((4-methylbenzoyl)oxy) succinic acid–N, N-dimethylformamide (1/1), C₂₃H₂₅NO₉

March 11, 2021

Xianping Zhang, Sisi Feng, Liping Lu

Page range: 667-669

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C 23 H 25 NO 9 , orthorhombic, P 2 1 2 1 2 (no. 18), a = 15.8641(6) Å, b = 11.1230(4) Å, c = 13.0925(5) Å, V = 2310.26(15) Å 3 , Z = 4, R gt ( F ) = 0.0372, wR ref ( F 2 ) = 0.0883, T = 298 K.
Open Access
Crystal structure of catena-poly[bis(4-(4-carboxyphenoxy)benzoato-κ¹O)-μ₂-(1,4-bis(1-imidazolyl)benzene-κ²N:N′)cobalt(II)], C₄₀H₂₈N₄O₁₀Co

March 5, 2021

Yi-Fan Xia, Xiong-Xin Peng, Yu-Fei Zhong, Wei Xiao, Chun-Yan Hu, Hou-Qun Yuan

Page range: 671-673

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C 40 H 28 N 4 O 10 Co, monoclinic, C 2/ c (no. 15), a = 29.686(3) Å, b = 6.2315(4) Å, c = 21.0994(15) Å, β = 114.727(8)°, V = 3545.3(5) Å 3 , Z = 4, R gt ( F ) = 0.0386, wR ref ( F 2 ) = 0.0897, T = 293(2) K. CCDC no.: 2054400
Open Access
Crystal structure of 1H-imidazol-3-ium poly[aqua-(μ₄-glutarato-κ⁶O,O′:O′:O′′,O′′′:O′′′)-(nitrato-κ²O,O′)strontium(II)], C₈H₁₃N₃O₈Sr

March 5, 2021

Rawiya Dridi, Amira Bouhali, Chaouki Boudaren, Abdelmalek Bouraiou, Hocine Merazig

Page range: 675-677

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C 8 H 13 N 3 O 8 Sr, monoclinic, C 2/ c (no. 15), a = 8.0945(2) Å, b = 15.7091(5) Å, c = 20.6169(6) Å, β = 96.807(2)°, V = 2603.11(13) Å 3 , Z = 8, R gt ( F ) = 0.021, wR ref ( F 2 ) = 0.0494, T = 273(2) K.
Open Access
Crystal structure of (R)-6-(benzo[b]thiophen-5-yl)-2-methyl-2,6-dihydrobenzo [5,6] silino[4,3,2-cd]indole, C₂₃H₁₇NSSi

March 19, 2021

Yuan-Fang Kong, De-Long Mu

Page range: 679-681

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C 23 H 17 NSSi, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.7862(5) Å, b = 9.0728(6) Å, c = 25.3797(16) Å, V = 1792.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0301, wR ref ( F 2 ) = 0.0778, T = 100.0 K.
Open Access
Crystal structure of catena-poly[bis(μ₂-thiocyanato-κ²N:S)-(2-(5-methyl-1H-pyrazol-3-yl)pyridine-κ²N,N′)cadmium(II)]–dioxane (1/1), C₁₅H₁₇CdN₅O₂S₂

March 11, 2021

Qin-Juan Xu

Page range: 683-684

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C 15 H 17 CdN 5 O 2 S 2 , triclinic, P1‾$P‾{1}$ (no. 2), a = 9.6685(4) Å, b = 10.4511(4) Å, c = 11.2840(5) Å, α = 100.763(2)°, β = 114.948(2)°, γ = 96.816(2)°, V = 990.36(7) Å 3 , Z = 2, R gt ( F ) = 0.0316, wR ref ( F 2 ) = 0.1169, T = 296(2) K.
Open Access
Crystal structure of poly[aqua-(μ₂-1,4-bis(2′-carboxylatophenoxy)benzene-κ²O:O′)-(μ₂-4,4′-bipyridione-κ²N:N′)cadmium(II)] monhydrate, C₃₀H₂₂CdN₂O₇⋅H₂O

March 3, 2021

Bin Yang, Ai Wang, Yan Wang

Page range: 685-687

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C 30 H 24 CdN 2 O 8 , orthorhombic, Pccn (no. 56), a = 11.720(2) Å, b = 14.000(3) Å, c = 16.971(3) Å, V = 2784.7(10) Å 3 , Z = 4, R gt ( F ) = 0.0544, ωR ref ( F 2 ) = 0.1664, T = 293(2) K.
Open Access
Crystal structure of catena-poly[tetraaqua-(μ₂-4,4′-bipyridine-k²N:N′)-bis(μ₂-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-k⁴O,O′:O″,O′″)dicadmium(II)] dihydrate, C₂₀H₂₀NO₇Cd

March 1, 2021

Shi-Jun Chen, Xin Cao, Xin-Dong Ma, Zhong-Chen Xi, Shi-Hui Li

Page range: 689-691

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C 20 H 20 NO 7 Cd, triclinic, P1‾$P‾{1}$ (no. 2), a = 9.9506(8) Å, b = 10.1867(11) Å, c = 11.2774(11) Å, α = 110.528(9)°, β = 93.830(7)°, γ = 107.307(8)°, V = 1003.18(17) Å 3 , Z = 2, R gt ( F ) = 0.0775, wR ref ( F 2 ) = 0.2051, T = 293(2) K.
Open Access
Crystal structure of 1‐tert‐butyl‐3‐(2,6‐diisopropyl‐4‐phenoxyphenyl)‐2-methylisothiourea, C₂₄H₃₄N₂OS

March 3, 2021

Benbo Zhao, Kai Fu, Miao-Miao Xun, Changchun Yuan

Page range: 693-695

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C 24 H 34 N 2 OS, M = 398.59, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 11.0576(3) Å, b = 11.8406(3) Å, c = 18.0061(5) Å, V = 2357.51(11) Å 3 , Z = 4, R gt ( F ) = 0.0334, wR ref ( F 2 ) = 0.0780, T = 170 K.
Open Access
Crystal structure of catena-poly[triaqua-(μ₂-1,3-di(1H-imidazol-1-yl)propane-κ²N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ¹O)cobalt(II)] — N,N′-dimethylformamide (1/1), C₂₈H₃₄N₈O₈Co

March 3, 2021

Ying Qiu, Juan Zhao, Mei-Ling Liu, Hong-Guang Ge, Xiao-Hui Ji, Qin Wang, Ling-xia Jin, Jiu-Fu Lu

Page range: 697-699

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C 28 H 31 N 8 O 8 Co, monoclinic, P 2 1 / c (no. 14), a = 14.8071(17) Å, b = 19.676(2) Å, c = 10.8580(13) Å, V = 3066.7(6) Å 3 , Z = 4, R gt ( F ) = 0.0377, wR ref ( F 2 ) = 0.1228, T = 293(2) K.
Open Access
Crystal structure of tetraaqua-bis(1,4-di(1H-imidazol-1-yl)benzene-κ¹N)manganese(II) 2,3-dihydroxyterephthalate, C₃₂H₃₂MnN₈O₁₀

March 5, 2021

Jingjing Zhou, Wei Xu, Luxiang He, Hongping Xiao

Page range: 701-703

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C 32 H 32 MnN 8 O 10 , monoclinic, P2/c (no. 13), a = 14.258(3) Å, b = 7.1056(13) Å, c = 17.589(3) Å, β = 113.672(3)°, V = 1632.0(5) Å 3 , Z = 2, R gt ( F ) = 0.0314, wR ref ( F 2 ) = 0.1019, T = 296(2) K.

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