Zeitschrift für Kristallographie - New Crystal Structures

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Volume 240, Issue 4

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Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

June 26, 2025

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New Crystal Structures
Open Access
Hydrothermal synthesis, crystal structure of [K3：N1:N2:N4-3-(pyridin-2-yl)-1,2,4-triazole] binuclear Ni(II) complex[Ni₂(C₇H₅N₄)2(C₇H₄ClO₂)₂]

May 6, 2025

Zhuo-Wen Xu, Ying-Qun Yang, Wei Li, Chang-Hong Li

Page range: 549-551

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C 28 H 18 Cl 2 Ni 2 N 8 O 4 , monoclinic , P 2 1 / c (no. 14), a = 15.162(3) Å, b = 9.6548(16) Å, c = 9.6957(17) Å, β = 101.038(3) ∘ , V = 1393.1(4) Å 3 , Z = 2, GooF= 1.035, R gt ( F ) = 0.0364, wR ref ( F 2 ) = 0.1016, T = 296 K.
Open Access
The crystal structure of di(thiocyanato-κ¹N)-bis(methanol)-di(1,3-bis((pyridin-4-ylthio)methyl)benzene)-iron(II), C₄₀H₄₀FeN₆O₂S₆

May 1, 2025

Qi Liu, Haitian Yu

Page range: 553-554

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C 40 H 40 FeN 6 O 2 S 6 , monoclinic, P 21/ n (no. 14), a = 9.0820(3) Å, b = 17.1717(6) Å, c = 13.0782(5) Å, β = 99.022(4)°, V = 2014.36 Å 3 , Z = 2, R gt ( F ) = 0.0348, wR ref ( F 2 ) = 0.0844, T = 293 K.
Open Access
Crystal structure of poly[(μ ₃-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ ³ O,O′:O″)-(μ ₄-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ ⁴ O,O′,O″,O‴)-dicadmium(II)]dimethylformamide solvate, C₄₇H₃₀Cd₂F₈N₃O₁₂

April 25, 2025

Hao Jing, Tang Jing, Li You-Wen, Man Li-Li, Hou Xia, Liu Ke

Page range: 555-557

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C 47 H 30 Cd 2 F 8 N 3 O 12 , monoclinic, P 2 1 / n (no. 14), a = 10.3022(2) Å, b = 53.5533(11) Å, c = 10.4720(2) Å, β = 91.272(2) ∘ , V = 5776.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0983, wR ref ( F 2 ) = 0.2343, T = 100 K.
Open Access
The crystal structure of a 3d-4f complex based on 2-(benzo[d]thiazol-2-yl)-6-methoxyphenol C₃₁H₂₇N₄O₁₃S₂CoEr

April 25, 2025

Ying-Ying Wang, Hai-Feng Zhang

Page range: 559-560

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C 31 H 27 N 4 O 13 S 2 CoEr, monoclinic, P 2 1 / c (no. 14), a = 15.4644(11) Å, b = 13.8903(10) Å, c = 16.7177(12) Å, β = 97.408(1)°, V = 3561.1(4) Å 3 , Z = 4, R gt ( F ) = 0.0255, wR ref ( F 2 ) = 0.0631, T = 296 K.
Open Access
Crystal structure of poly[(μ ₂-1,4-bis(imidazol-1-yl)benzene-k ² N:N′)(μ ₄-biphenyl-3,3′,5,5′-tetracarboxylic-k ⁴ O,O,O,O)dizinc(II)] dihydrate, C₄₀H₂₈Zn₂N₈O₉

April 29, 2025

Xufeng Yang, Debiao Liu, Long Chen, Zhixue Zhang

Page range: 561-563

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C 40 H 28 Zn 2 N 8 O 9 , orthorhombic, Fdd 2 (no. 43), a = 26.725(3) Å, b = 26.450(2) Å, c = 10.1498(8) Å, V = 7174.7(11) Å 3 , Z = 8, R gt ( F ) = 0.0486, wR ref ( F 2 ) = 0.0981, T = 293(2) K.
Open Access
The crystal structure of 4-(bis(2-chloroethyl)amino)-2-hydroxybenzaldehyde, C₁₁H₁₃Cl₂NO₂

May 6, 2025

Xu Zhang, Zhenyu Zuo, Lei Chen, Fengjiao Bai

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C 11 H 13 Cl 2 NO 2 , triclinic, space group P 1 ‾ $\mathrm{P}\overline{1}$ , a = 7.2061(4) Å, b = 9.5043(5) Å, c = 9.9747(6) Å, α = 70.249(2)°, β = 70.258(2)°, γ = 80.755(2)°, V = 604.34(6) Å 3 , Z = 2, R gt (F) = 0.0401, wR ref (F2) = 0.1125, T = 293 K.
Open Access
Synthesis and crystal structure of-(10S,13S,16R,Z) −17-ethylidene-16-hydroxy-10,13-dimethylhexadecahydro-3 H-cyclopenta[α]phenanthren-3-one, C₂₁H₃₂O₂

May 7, 2025

Peng Wei, Kang He, Jiang-Hai Ye, Xin-Feng Li, Juan Zou

Page range: 567-568

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C 21 H 32 O 2 , monoclinic, P 2 1 , a = 15.2215(7) Å, b = 7.2235(4) Å, c = 16.3052(7) Å, β = 92.754(4)°, V = 1790.73(15) Å 3 , Z = 4, R gt ( F ) = 0.0503, wR ref ( F 2 ) = 0.1345, T = 297(2) K.
Open Access
The crystal structure of catena-((μ ₂-4,4′-bipyridine-κ ² N:N′)-bis(4-fluorobenzoato-κ¹O)-copper(II)), C₂₄H₁₆F₂N₂O₄Cu

April 29, 2025

Wentao Chen, Jinmei Qin, Hangyi An, Zhongjie Lai, Yani Luo, Airong Wang, Yan Li, Jiaming Li

Page range: 569-572

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C 24 H 16 F 2 N 2 O 4 Cu, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.3203(6) Å, b = 9.0861(11) Å, c = 11.5282(10) Å, α = 103.718(9)°, β = 97.964(9)°, γ = 98.771(10)°, V = 526.12(10) Å 3 , Z = 1, R gt ( F ) = 0.0497, wR ref ( F 2 ) = 0.1000, T = 298 K.
Open Access
Crystal structure of catena-poly[(ethylenediamine-κ² N,N′)-μ-tetraoxomolybdato(VI) zinc(II)], C₂H₈MoN₂O₄Zn

April 30, 2025

Xin Zhuo

Page range: 573-574

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C 2 H 8 MoN 2 O 4 Zn, monoclinic, P 2 1 / c (no. 4), a = 10.3133(6) Å, b = 9.6996(5) Å, c = 7.2740(4) Å, β = 106.088(1)°, V = 699.16(7) Å 3 , Z = 4, R gt ( F ) = 0.0191, wR ref ( F 2 ) = 0.0512, T = 296(2) K.
Open Access
The crystal structure of 4-chloro-1H-pyrazole-3-carboxylic acid, C₄H₃ClN₂O₂

April 30, 2025

DaoHang Du, ShiHong Zhu, Chao Feng, YunHua Jiang, Jia Yang, Ting Tao, ShuLi Yu, Hong Zhao

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C 4 H 3 ClN 2 O 2 , monoclinic, C 2/ c (no. 15), a = 25.4370(17) Å, b = 6.9155(5) Å, c = 13.0629(7) Å, β = 110.558 (6)°, V = 2151.6 (3) Å 3 , Z = 16, R gt ( F ) = 0.0552, w R ref ( F 2 ) = 0.2177, T = 293 K.
Open Access
The crystal structure of bepotastine besilate, C₂₇H₃₁ClN₂O₆S

April 25, 2025

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

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C 27 H 31 ClN 2 O 6 S, triclinic, P 1 (no. 1), a = 8.0223(3) Å, b = 9.8143(3) Å, c = 10.2307(4) Å, α = 88.308(3)°, β = 69.000(3)°, γ = 65.970(3)°, V = 680.39(5) Å 3 , Z = 1, R gt ( F ) = 0.0406, wR ref ( F 2 ) = 0.1165, T = 297 K.
Open Access
The crystal structure of (η ⁶-p-cymene)benzyldiphenylphosphine-diiodido-ruthenium(II) dichloromethane solvate

May 7, 2025

Majiba F. Misakabu, Zanele G. Morerwa, Hadley S. Clayton

Page range: 581-583

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C 59 H 64 Cl 2 I 4 P 2 Ru 2 , triclinic, P 1̄ (no. 2), a = 7.5074(2) Å, b = 10.8867(3) Å, c = 18.7012(6)) Å, α = 96.696(1)°, β = 99.956(1)°, γ = 104.730(1)°, V = 1435.14(7) Å 3 , Z = 1, R gt ( F ) = 0.0190, wR ref ( F 2 ) = 0.0443, T = 100 K.
Open Access
The crystal structure of poly[(μ ₂-1-(1-imidazolyl)-4- (imidazol-1′-yl-methyl)benzene κ ² N:N′)-(μ ₂-3-nitrobenzene -1,2-dicarboxylato-k⁴,O,O′:O′′,O′′′]zinc(II)-κ ², C₂₁H₁₅N₅O₆Zn

May 23, 2025

Gui-Lian Li, Meng Wu, Chen-Yang Ma, Jing-Yi Wang, Yan-Han Du, Meng-Ni Qi

Page range: 585-587

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C 21 H 15 N 5 O 6 Zn, monoclinic, P 2 1 / n , a = 9.3993(4) Å, b = 22.8857(8) Å, c = 9.8365(5) Å, β = 103.658(5)°, V = 2056.11(16) Å 3 , Z = 4, R gt ( F ) = 0.0810, wR ref ( F 2 ) = 0.0856, T = 293(2) K.
Open Access
The crystal structure of (2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methyl pentanoic acid, C₂₃H₂₉NO₄

April 25, 2025

Tingting Han, Shuang Huang, Jing Chen, Yan Zhang

Page range: 589-590

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C 23 H 29 NO 4 , monoclinic, P 2 1 (no. 4), a = 6.8799(3) Å, b = 14.4692(6) Å, c = 11.4832(5) Å, β = 105.680(2)°, V = 1000.57(8) Å 3 , Z = 2, R gt ( F ) = 0.0455, wR ref ( F 2 ) = 0.1085, T = 170 K.
Open Access
The crystal strucure of [2,2′-{1,2-phenylenebis [(azanylylidene)methanylylidene]}bis(4-fluorophenolato)-κ⁴ N,N′,O,O′] nickel(II) N, N-dimethylformamide solvate, C₂₃H₁₉F₂N₃NiO₃

May 22, 2025

Chao-Jun Du, Dan-Xia Li

Page range: 591-592

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C 23 H 19 F 2 N 3 NiO 3 , monoclinic, P 2 1 / n (no. 14), a = 8.02480(10) Å, b = 14.7330(2) Å, c = 17.5645(3) Å, β = 91.6160(10)°, V = 2075.81(5) Å 3 , Z = 4, R gt ( F ) = 0.0456, wR ref ( F 2 ) = 0.1392, T = 293(2) K.
Open Access
The structure of (E)-6-(cyclopropylmethyl)-11-(2,2-difluoropropylidene)-2-methyl-6, 11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, C₂₁H₂₁F₂NO₂S

April 25, 2025

Ji Wang, Wenhui Wu, Fuhua Lin, Jie Wang, Xiuzhi Zhang

Page range: 593-594

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C 21 H 21 F 2 NO 2 S, monoclinic, P 2 1 / n (no. 14), a = 12.0799(4) Å, b = 12.8538(4) Å, c = 12.2063(4) Å, β = 95.769(1)°, V = 1885.70(11) Å 3 , Z = 4, R gt ( F ) = 0.0437, wR ref ( F 2 ) = 0.1261, T = 150 K.
Open Access
Crystal structure of catena-poly[(μ ₂-(2-(1H-imidazol-1-ylmethyl)benzyl)-1H-imidazole κ²N:N′)- (μ ₂-cyclohexane-1,2-dicarboxylato κ²O,O′)cobalt(II) monohydrate]

May 22, 2025

Zhaoxun Lian

Page range: 595-596

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CoC 22 H 26 N 4 O 5 , monoclinic, P2 1 / n , a = 9.531(3) Å, b = 11.771(4) Å, c = 19.673(6) Å, β = 92.495(6)°, V = 2205.0(12) Å 3 , Z = 4, R gt ( F ) = 0.0559 wR ref ( F 2 ) = 0.1253, T = 296(2)K.
Open Access
The crystal structure of 3,5,7-trinitro-1,3,5,7-oxatriazocane

June 4, 2025

Li Sijie, Wang Xiaojun, Xu Yinguang, Wang Fan, Chen Lizhen, Wang Jianlong

Page range: 597-598

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C 4 H 8 O 7 N 6 , monoclinic, Pc (no. 7), a = 11.3436(2) Å, b = 7.42793(12) Å, c = 11.2349(2) Å, β = 104.220(2)°, V = 917.64(3) Å 3 Z = 2, R gt ( F ) = 0.0250, wR ref ( F 2 ) = 0.0667, T = 100 K.
Open Access
Crystal structure of poly[(μ₂-nitrato-κ³ O,O′:O′′)(μ₂-1-[(2-propyl-1H-benzimidazole-1-yl)methyl]-1H-benzotriazole-k² N:N′)silver(I)], C₁₇H₁₇AgN₆O₃

May 23, 2025

Ling-He Cheng, Meng-meng Cao, Hai-Long Zhang, Xiao Wang, Yang-Yu Liu

Page range: 599-600

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C 17 H 17 AgN 6 O 3 , monoclinic, P 2 1 / c , a = 9.7281(3) Å, b = 18.8761(6) Å, c = 9.6289(3) Å, β = 99.548(3) ∘ , Z = 4, V = 1743.65(10) Å 3 , R gt ( F ) = 0.0465, wR ref ( F 2 ) = 0.1193, T = 293 K.
Open Access
The crystal structure of (5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)(3-methylphenyl)methanone, C₁₈H₁₄N₂O₄S

April 24, 2025

Zi-Hui Jiang, Yue-Hu Chen

Page range: 601-602

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C 18 H 14 N 2 O 4 S, triclinic, P 1̄ (no. 2), a = 8.0785(6) Å, b = 8.4022(6) Å, c = 13.7881(10) Å, α = 81.537(2)°, β = 75.581(2)°, γ = 64.198(2)°, V = 815.24(10) Å 3 , Z = 2, R gt ( F ) = 0.0437, wR ref ( F 2 ) = 0.1159, T = 273 K.
Open Access
The crystal structure of diaqua-bis[5-(4-methylphenyl)-1H-pyrazole-3-carboxylato-κ²N,O]-cobalt(II), C₁₁H₁₁Co_0.5N₂O₃

April 30, 2025

Yun-hua Jiang, Chao Feng, Dao-hang Du, Hong Zhao

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C 11 H 11 Co 0.5 N 2 O 3 , Triclinic, P 1 ‾ $P\overline{1}$ , a = 4.8354(4) Å, b = 6.2696(3) Å, c = 18.3717(12)(4) Å, α = 92.763(5)°, β = 94.079(7)°, γ = 103.858(6)°, V = 538.15(6) Å 3 , Z = 2, R gt ( F ) = 0.050, w R ref ( F 2 ) = 0.125, T = 293 K.
Open Access
Crystal structure of 2-(6-methoxynaphthalen-2-yl)-N-(4-morpholinophenyl)propanamide, C₂₄H₂₆N₂O₃

May 23, 2025

Qing Zhang, De-Dong Xue, Li-Wei Han

Page range: 605-606

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C 24 H 26 N 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 6.565(3) Å, b = 36.126(13) Å, c = 8.423(3) Å, β = 97.745(15)°, V = 1979.4(14) Å 3 , Z = 4, R gt ( F ) = 0.0329, wR ref ( F 2 ) = 0.0884, T = 100(2) K.
Open Access
The crystal structure of sodium methylsulfonate

May 23, 2025

Shi Xie, Yuan Gao

Page range: 607-608

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C 5 H 15 Na 5 O 15 S 5 , orthorhombic, Pbcm (no. 53), a = 5.58810(10) Å, b = 16.9774(5) Å, c = 21.904 (5) Å, V = 2078.06(9) Å 3 , Z = 4, R gt ( F ) = 0.0275, wR ref ( F 2 ) = 0.0658, T = 125.80 K.
Open Access
Crystal structure of catena-poly[bis(isothiocyanate κ ¹ N)-(μ ₂-3,3ʹ-methylenebis(1-methyl-1,3-dihydro-2H-imidazole-2-thione)-κ ² S:S′)-cobalt(II)], C₁₁H₁₂CoN₆S₄

May 7, 2025

Shu-Yang Chen, Zhen-Zhen Shi, Jing Guo, Yi-Xuan Li, Yan-Chen Yan, Bin-Bin Yu

Page range: 609-611

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C 11 H 12 CoN 6 S 4 , monoclinic, P 2 1 / c (no. 14), a = 14.2513(7) Å, b = 14.2335(8) Å, c = 8.4056(5) Å, β = 98.147(2)°, V = 1687.83(16) Å 3 , Z = 4, R gt ( F ) = 0.0386, w R ref ( F 2 ) = 0.0867, T = 296 K.
Open Access
The crystal structure of {hexakis(1-methyl-1H-imidazole-κ ¹N)nickel(II)} (μ ₂-oxo)-hexaoxido-di-molybdenum(VI)─1-methyl-1H-imidazole (1/2), C₃₂H₄₈NiMo₂N₁₆O₇

May 22, 2025

Hai-Li Yu, Zou-Guang Han, Xiao-Jie Gong, Bao-Kuan Chen

Page range: 613-614

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C 32 H 48 NiMo 2 N 16 O 7 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.423(15) Å, b = 10.4940(14) Å, c = 11.1635(17) Å, α = 94.924(6)°, β = 112.452(5)°, γ = 103.769(5)°, V = 1074.6(3) Å 3 , Z = 1, R gt ( F ) = 0.0305, wR ref ( F 2 ) = 0.0771, T = 298 K.
Open Access
6-(Diphenylphosphoryl)-3,3′,6′-tris(10H-phenoxazin-10-yl)-[1,1′-biphenyl]-2,2′-dicarbonitrile, C₆₂H₃₈N₅O₄P

June 4, 2025

Zhenlong Tu, Bangjin Sun

Page range: 615-616

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C 62 H 38 N 5 O 4 P, monoclinic, P 2 1 / n (no. 14), a = 13.8942(6) Å, b = 16.1867(7) Å, c = 21.2705(8) Å, β = 97.716(2)°, V = 4740.4(3) Å 3 , Z = 4, R gt ( F ) = 0.0401, wR ref ( F 2 ) = 0.1066, T = 190 K.
Open Access
The crystal structure of R-2′-amino-N-methyl-N-(1-phenylethyl)-[1,1′-biphenyl]-4-carboxamide, C₂₂H₂₂N₂O

May 22, 2025

Yi Yao, Jia-Jun Liang, Hai-Ping Wang

Page range: 617-618

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C 22 H 22 N 2 O, orthorhombic, P 2 1 2 1 2 1 , a = 7.09830(10) Å, b = 13.8691(2) Å, c = 18.1492(3) Å, V = 1786.76(5) Å 3 , Z = 4, R gt ( F ) = 0.0386, wR ref ( F 2 ) = 0.1078, T = 300 K.
Open Access
The crystal structure of bis{tetrakis(n-butyl)(μ-hydroxy)(2,3,5,6-tetrafluorobenzoate) (μ ₃-oxo)ditin(IV)}

May 23, 2025

Lifang He, Biao Li, Xinbo Hou, Xiongwei Wu, Yihu Hou, Xiaoming Zhu, Fuxing Zhang

Page range: 619-620

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C 46 H 76 F 8 O 8 Sn 4 , monoclinic, P 2 1 / n (no. 14), a = 13.2408(8) Å, b = 14.3875(9) Å, c = 15.9892(10) Å, β = 104.2490(10)°, V = 2952.3(3) Å 3 , Z = 2, R gt ( F ) = 0.0434, wR ref ( F 2 ) = 0.1148, T = 296 (2) K.
Open Access
Crystal structure of catena-poly[aqua-(μ ₂(3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylato-κ ² O:O′)-(3,6-bis(4′-pyridyl)-1,2,4,5-tetrazine-κ ¹ N)zinc(II)], C₂₂H₁₆N₆O₅S₂Zn

June 9, 2025

Nana Liu, Fei Yang, Suna Wang

Page range: 621-622

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C 22 H 16 N 6 O 5 S 2 Zn, monoclinic, C 2/ c (no. 15), a = 27.068(3) Å, b = 12.4186(11) Å, c = 13.9382(12) Å, β = 102.407(3)°, V = 4575.8(7) Å 3 , Z = 8, R gt ( F ) = 0.0454, wR ref ( F 2 ) = 0.1180, T = 298 K.
Open Access
The crystal structure of 3-bromo-5-cyano–N-(5-(cyanomethyl)quinolin-8-yl)pentanamide, C₁₉H₁₅BrN₄O

May 23, 2025

Yingying Lv, Mengyao Zhao, Yawei Chen, Dongju Zhou, Ping Li, Saidi Cui, Mengdan Wang

Page range: 623-624

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C 18 H 15 BrN 4 O, monoclinic, C 2/ c (no. 15), a = 29.1892(14) Å, b = 5.3374(2) Å, c = 23.7466(10) Å, β = 116.732(1)°, V = 3304.2(2) Å 3 , Z = 8, R gt ( F ) = 0.0355, wR ref ( F 2 ) = 0.0954, T = 293(2) K.
Open Access
The crystal structure of bis(tetramethylammonium) (di-μ₂-aqua)hexaaqua-dibarium(II)) decavanadate

May 23, 2025

Yushan Jiang, Xinqi Liu, Jiaxun Yu, Yijun Liu, Yuanzhe Li, Heting Wang, Jingru Huang, Xianqiang Huang

Page range: 625-627

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C 4 H 20 O 18 V 5 BaN, orthorhombic, Pnnm , a = 16.2079(17) Å, b = 9.4181(7) Å, c = 12.4399(9) Å, V = 1898.9(3) Å 3 , R gt ( F ) = 0.0538, wR ref ( F 2 ) = 0.0830, T = 298 K.
Open Access
The crystal structure of catena-poly(bis(μ ₂-chlorido)- (μ ₂-4′-(pyridin-4-yl)-2,2′:6′,2″-terpyridine–N′, N″, N‴:N″″) -chlorido-dicopper(I,II)) monohydrate, C₂₀H₁₆N₄OCl₃Cu₂

May 23, 2025

Yu-Qing Wang, Xiao-Jie Gong, Long-Chen Xie, Bao-Kuan Chen

Page range: 629-630

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C 20 H 16 N 4 OCl 3 Cu 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.2232(13) Å, b = 10.8897(18) Å, c = 11.3838(19) Å, α = 93.394(5) ∘ , β = 94.248(5) ∘ , γ = 91.588(5) ∘ , V = 1013.6(3) Å 3 , Z = 2, R gt ( F ) = 0.0445, w R ref ( F 2 ) = 0.1203, T = 273 K.
Open Access
Crystal structure of spiropachysine, C₃₁H₄₆N₂O

June 4, 2025

Xing Shang, Qi-ji Li, Lang Zhou, Lian Huang, Yin-ju Zhang, Yun-jia Zhou, Xiao-hong Li

Page range: 631-632

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C 31 H 46 N 2 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.6193(10) Å, b = 23.5730(2) Å, c = 29.0444(3) Å, V = 5216.66(10) Å 3 , Z = 8, R gt ( F ) = 0.0344, wR ref ( F 2 ) = 0.0898, T = 104(7) K.
Open Access
Crystal structure of poly[aqua-(μ ₂-3-bromoisonicotinato-κ ² N: O)-(μ ₂-3-bromoisonicotinato-κ ³ N: O: O′)-(μ ₃-3-bromoisonicotinato-κ ³ N: O: O′)-(μ ₂-nitrite-κ ³ O: O′: O″)dicadmium(II) monohydrate], C₁₉H₁₂Br₃Cd₂N₃O₉

June 4, 2025

Kuan-Ying Li, Yue Wang, Qing-Hua Zheng, Wei-Wei Zhou

Page range: 633-635

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C 19 H 12 Br 3 Cd 2 N 3 O 9 , triclinic, P 1 − $\overset{-}{1}$ (no. 2), a = 8.5783(3) Å, b = 10.1346(3) Å, c = 15.5520(5) Å, α = 85.633(1) ∘ , β = 89.906(1) ∘ , γ = 65.269(1) ∘ , V = 1223.80(7) Å 3 , Z = 2, R gt ( F ) = 0.0368, w R ref ( F 2 ) = 0.0935, T = 299 K.
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The crystal structure of 2-acetylpyridine-ortho-fluoro-phenylhydrazone, C₁₄H₁₂FN₃O

May 7, 2025

Qutaiba Abu-Salem, Haitham Al-Sa’doni, Helmar Görls

Page range: 637-639

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C 14 H 12 FN 3 O, monoclinic, P 2 1 / n (no. 14), a = 7.4339(2) Å, b = 19.1864(5) Å, c = 8.6861(3) Å, β = 105.705(1)°, V = 1192.65(6) Å 3 , Z = 4, R gt ( F ) = 0.0367, wR ref ( F 2 ) = 0.0486, T = 133(2) K.
Open Access
The crystal structure of poly(triaqua-(m ²-2,2′-bipyridine-4,4′-dicarboxylato-K ² O:O′)-bis(m ²-2-2′-bipyridine-4,4′-dicarboxylato-K ⁴ O,O′:O″:O‴)dierbium(III)) hydrate, C₃₆H₂₆Er₂N₆O₁₆

June 4, 2025

Xu Liu, Xiao-Yu Zhang, Xiao-Wei Huang

Page range: 641-642

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C 36 H 26 Er 2 N 6 O 16 , triclinic, P 1 − $\overset{-}{1}$ (no. 2), a = 11.3488(3) Å, b = 12.1777(3) Å, c = 14.1863(3) Å, α = 95.054(2)°, β = 103.634(2)°, γ = 101.470(2)°, V = 1848.44(8) Å 3 , Z = 2, R gt ( F ) = 0.0297, wR ref ( F 2 ) = 0.0645, T = 150 K.
Open Access
The crystal structure of 1,1′-(phenazine-5,10-diyl)bis(heptan-1-one), C₂₆H₃₄N₂O₂

May 22, 2025

Wenhao Tang, Weihuan Li

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C 26 H 34 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 12.3394(3) Å, b = 13.3376(3) Å, c = 17.5735(4) Å, β = 123.246(1)°, V = 2418.83(10) Å 3 , Z = 4, R gt ( F ) = 0.0538, wR ref ( F 2 ) = 0.1594, T = 298 K.
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The crystal structure of (4-([2,2′:6′,2″-terpyridin]-4′-yl)phenyl)boronic acid, C₂₁H₁₆BN₃O₂

May 23, 2025

Wenjing Shi, Jun Wang

Page range: 645-646

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C 21 H 16 BN 3 O 2 , orthorhombic, Pna 2 1 (no. 33), a = 28.297(6) Å, b = 6.2978(13) Å, c = 9.6279(16) Å, V = 1715.8(6) Å 3 , Z = 4, R gt ( F ) = 0.0586, wR ref ( F 2 ) = 0.1643, T = 293 K.
Open Access
Crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione, C₆H₃N₃O₃

May 23, 2025

Hui Yu, Feng Xu

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C 6 H 3 O 3 N 3 , monoclinic, P 2 1 / n a = 5.0505(3) Å, b = 8.7139(6) Å, c = 14.2723(9) Å, β = 90.226(1)°, V = 628.11 Å 3 , Z = 4, R gt ( F ) = 0.0326, wR ref ( F 2 ) = 0.1347, T = 296(2) K.
Open Access
Crystal structure of N′-((1-hydroxycyclohexyl)(phenyl)methyl)-2-methoxybenzohydrazide ethanol solvate, C₂₃H₃₀N₂O₄

June 3, 2025

Yamin Guo, Yanrong Gao, Wenqiang Tang

Page range: 649-650

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C 23 H 30 N 2 O 4 , monoclinic, P 2 1 /n (no. 14), a = 9.9661(6) Å, b = 18.5076(14) Å, c = 11.9817(9) Å, β = 97.489(3)°, V = 2191.2(3) Å 3 , Z = 4, R gt ( F ) = 0.0678, w R ref ( F 2 ) = 0.2198, T = 298 K.
Open Access
Crystal structure of pyridinium tetrakis[1,1,1-trifluoro-2,4-pentadionato-K² O,O′]lutetium(III) C₂₀F₁₂H₁₆LuO₈C₅H₆N

June 4, 2025

Yan Wang, Jianming Wang

Page range: 651-652

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C 25 H 22 F 12 LuNO 8 , monoclinic, P 2 1 / c , a = 10.4573(2) Å, b = 19.4072(3) Å, c = 15.7199(2) Å, β = 103.842(2)°, V = 3097.66(9) Å 3 , Z = 4, R gt ( F ) = 0.0912, wR ref ( F 2 ) = 0.0921, T = 150 K.
Open Access
Crystal structure of dichlorido–tetrakis{3-((1H-1,2,4-triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol-k ¹N}cobalt(II), C₆₄H₈₈O₄N₁₂Cl₆Co

June 4, 2025

Jie Li, Haiwei Han, Yinghan Dong, Mengying Qiu, Xiaoyan Pei

Page range: 653-655

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C 64 H 88 O 4 N 12 Cl 6 Co, triclinic, P 1 ‾ $P\overline{1}$ , a = 9.1414(10) Å, b = 12.0301(14) Å, c = 17.521(2) Å, α = 80.372(2)°, β = 78.559(2)°, γ = 69.025(2)°, V = 1753.6(3) A 3 , Z = 1, R gt ( F ) = 0.0665, wR ref ( F 2 ) = 0.1793, T = 296(2) K.
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The crystal structure of tetrakis(4-allyl-2-methoxyphenyl nicotinato-k ¹ N)bis(thiocyanato-k ¹ N)cobalt(II)

June 4, 2025

Lei Wang, Zhen-Xiang Liu, Shuping Cai

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C 66 H 60 CoN 6 O 12 S 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.2930(4) Å, b = 12.7458(6) Å, c = 13.7934(7) Å, α = 98.895(2) ∘ , β = 97.231(2) ∘ , γ = 95.445(2) ∘ , V = 1590.36(13) Å 3 , Z = 1, R gt ( F ) = 0.0469, wR ( F 2 ) = 0.1388, T = 298 K.
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The crystal structure of methyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C₂₀H₂₁Cl₂NO₃

May 23, 2025

Zhiqiang Wang, Min Li

Page range: 659-660

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C 20 H 21 Cl 2 NO 3 , orthorhombic, Pbca (no. 61), a = 14.938(3) Å, b = 13.224(3) Å, c = 18.753(4) Å, V = 3704.3(12) Å 3 , Z = 8, R gt ( F ) = 0.0462, wR ref ( F 2 ) = 0.1435, T = 296(2) K.
Open Access
The crystal structure of (E)–N-(4-chlorobenzylidene)(4-chlorophenyl)methanamine, C₁₄H₁₁Cl₂N

May 23, 2025

Hanzhu Kong, Yangling Ji, Shouwen Jin, Ming Guo

Page range: 661-662

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C 14 H 11 Cl 2 N, orthorhombic, Pbca , a = 14.5131(13) Å, b = 5.9090(5) Å, c = 29.470(3) Å, V = 2527.3(4) Å 3 , Z = 8, R gt ( F ) = 0.0825, wR ref ( F 2 ) = 0.1401, T = 298 K.
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Crystal structure of (E)-4-(4-ethylbenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C₂₁H₂₂O₄

May 23, 2025

Wen-Xin Zhu, De-Li Xia, Yu-Hao Miao, Yu-Xin Pan, Qing-Guo Meng, Gui-Ge Hou

Page range: 663-665

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C 21 H 22 O 4 , orthorhombic, Pbca (no. 61), a = 9.1326(5) Å, b = 14.0165(9) Å, c = 26.9851(19) Å, V = 3454.3(4) Å 3 , Z = 8, R gt ( F ) = 0.0433 (2685), wR ref ( F 2 ) = 0.0965, T = 293 K.
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Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid dimethyl sulfoxide monosolvate, C₄H₂N₃O₄⋅C₂H₆OS

May 23, 2025

Ana Radović, Gerald Giester, Zoran D. Tomić, Miljan Bigović, Željko K. Jaćimović

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C 4 H 2 N 3 O 4 ⋅C 2 H 6 OS, monoclinic, P 2 1 / c (no. 14), a = 6.8751(6) Å, b = 11.0506(10) Å, c = 14.0569(12) Å, β = 97.355(3)°, V = 1059.17(16) Å 3 , Z = 4, R gt ( F ) = 0.0271, wR ref ( F 2 ) = 0.0664, T = 200 K.
Open Access
Crystal structure of-(1S,4aR,5S)-5,6,7-trihydroxy-8-isopropyl-1-methyl-1,2,3,4,5,10,11,11a-octahydro-4a,1-(epoxymethano)dibenzo[a,d][7]annulen-13-one C₂₀H₂₆O₅

June 4, 2025

Jiao Yu, Chen-Liang Zhao, Yu-Ling Luo, Ya-Xin Yang, Jing-Jie Zhang

Page range: 669-670

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C 20 H 26 O 5 , monoclinic, P 2 1 , a = 14.0782(12) Å, b = 8.6399(7) Å, c = 14.6891(13) Å, β = 101.9593(9), V = 1747.93(3) Å 3 , Z = 4, R gt ( F ) = 0.0275, wR ref ( F 2 ) = 0.0736, T = 100(1) K.
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Crystal structure of 7,9-dimethoxy-2-methyl-4-propylbenzo[f]isoquinolin-5-yl 4-bromobenzoate, C₂₆H₂₄BrNO₄

June 4, 2025

Jia-Jia Wang, Hao-Yun Feng, He-Ting Wang, Qing-Gang Sun, Qian-Li Li, Ya-Lin Zhang

Page range: 671-672

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C 26 H 24 BrNO 4 , monoclinic, P 2 1 / c (no. 14), a = 11.0275(5) Å, b = 21.172(10) Å, c = 10.145(4) Å, β = 103.929(8)°, V = 2298.9(17) Å 3 , Z = 4, R gt ( F ) = 0.0653, wR ref ( F 2 ) = 0.2027, T = 296 K.
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Crystal structure of bis(N,N,N-trimethylbutanaminium)tridecathiotrimolybdate(2−), (BuMe₃N)₂[Mo₃S₁₃]

May 23, 2025

Kang-Woo Kim, Sunghyeon Kim

Page range: 673-674

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C 14 H 36 N 2 Mo 3 S 13 , monoclinic, P 2 1 / n (no. 14), a = 12.537(6) Å, b = 11.915(6) Å, c = 21.511(10) Å, β = 92.829(19)°, V = 3209(3) Å 3 , Z = 4, R gt ( F ) = 0.0332, w R ref ( F 2 ) = 0.0804, T = 223 K.
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Crystal structure of N-(adamantan-1-yl)-4-methylpiperazine-1-carbothioamide, C₁₆H₂₇N₃S

June 4, 2025

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

Page range: 675-677

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C 16 H 27 N 3 S, monoclinic, P 2 1 / c (no. 14), a = 11.54650(10) Å, b = 15.13080(10) Å, c = 9.25160(10) Å, β = 103.137(1)°, V = 1574.03(2) Å 3 , Z = 4, R gt ( F ) = 0.0305, wR ref ( F 2 ) = 0.0807, T = 160 K.
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Crystal structure of poly[(μ ₂-2,2′-[1,4-phenylenebis(methylenesulfanediyl)]dibenzoato-κ ⁴ O,O′:O″,O‴)-(μ ₂-1,1′-([1,1′-biphenyl]-4,4′-diyl)bis(1H-benzimidazole)-κ ² N:N′)cadmium(II)]dimethylformamide solvate, C₅₁H₄₁N₅O₅S₂Cd

June 11, 2025

Bin Li, Zhiwei Chen, Suna Wang

Page range: 679-681

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C 51 H 41 N 5 O 5 S 2 Cd, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.8410(9) Å, b = 13.0458(11) Å, c = 17.4971(15) Å, α = 68.8880(10)°, β = 72.7460(10)°, γ = 85.661(2)°, V = 2203.3(3) Å 3 , Z = 2, R gt ( F ) = 0.0655, wR ref ( F 2 ) = 0.1765, T = 298(2) K.
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The crystal structure of 2-benzoyl-3′,4′,5′,6′-tetrahydrospiro[isoindoline-1,2′-pyran]-3-one, C₁₉H₁₇NO₃

June 6, 2025

Tao-Tao Zhao, Jia-Qiang Wu, Hai-Ping Wang

Page range: 683-684

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C 19 H 17 NO 3 , monoclinic, P 2 1 / c (no. 14), a = 9.0838(4) Å, b = 9.9597(4) Å, c = 16.9190(7) Å, β = 91.0780°, V = 1530.42(11) Å 3 , Z = 4, R gt ( F ) = 0.0465, wR ref ( F 2 ) = 0.1208, T = 170 K.
Open Access
The crystal structure of 1-(4-cyanobenzyl)-4-phenyl-1,4-dihydropyridine-3-carbonitrile, C₂₀H₁₅N₃

June 3, 2025

Yanyan Liu

Page range: 685-686

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C 20 H 15 N 3 , monoclinic, P 2 1 / c (no. 14), a = 11.7066(3) Å, b = 17.2535(5) Å, c = 8.4538(2) Å, β = 110.6420(10)°, V = 1597.88(7) Å 3 , Z = 4, R gt ( F ) = 0.0434, wR ref ( F 2 ) = 0.1528, T = 293 K.
Open Access
Crystal structure of (1,3-dioxolan-2-ylmethyl)triphenylphosphonium bromide, C₂₂H₂₂BrO₂P

June 4, 2025

Chun-Yan Niu, Hui Jiang

Page range: 687-688

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C 22 H 22 BrO 2 P, monoclinic, P 2 1 / c (no. 14), a = 14.1859(3) Å, b = 9.5336(2) Å, c = 30.2301(6) Å, β = 101.521(2)°, V = 4006.03(15) Å 3 , Z = 8, R gt ( F ) = 0.0656, w R ref ( F 2 ) = 0.1818, T = 301.48(10) K.
Open Access
Crystal structure of [(2,4-dichlorobenzyl)triphenylphosphonium] tetrachloridomanganese(II)

June 18, 2025

Chun-Yan Niu, Hui Jiang

Page range: 689-690

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[C 25 H 20 Cl 2 P] 2+ 2 [MnCl 4 ] 2− , orthorhombic, Pbca (no. 61), a = 19.2119(2) Å, b = 18.6383(2) Å, c = 27.3205(3) Å, V = 9782.85(18) Å 3 , Z = 8, R gt ( F ) = 0.0537, wR ref ( F 2 ) = 0.1478, T = 301 K.
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The crystal structure of 2-(2-hydroxy-4-n-octyloxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine, C₃₃H₃₉N₃O₂

June 18, 2025

Jieying Liu, Guanghui Liu, Cuiying Lu, Rui Dang, Yuhong Kang, Zhifang Zhang

Page range: 691-692

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C 33 H 39 N 3 O 2 , monoclinic, P 2 1 / n (no. 14), a = 15.6706(4) Å, b = 4.02399(11) Å, c = 43.4356(11) Å, β = 99.098(3)°, V = 2,704.53(13) Å 3 , Z = 4, R gt ( F ) = 0.0423, w R ref ( F 2 ) = 0.1224, T = 100 K.
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Crystal structure of catena-poly[aqua-(5-carboxypyridine-2-carboxylate-κ ²N,O)(2,5-pyridine-dicarboxylate-κ ⁴O,O′:N:O″)bismuth(III)], C₁₄H₉BiN₂O₉

June 3, 2025

Yu-Quan Feng

Page range: 693-695

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C 14 H 9 BiN 2 O 9 , monoclinic, P 2 1 / c (no. 14), a = 15.374(4) Å, b = 7.7838(18) Å, c = 12.694(3) Å, β = 109.525(4)°, V = 1431.7(6) Å 3 , Z = 4, R gt ( F ) = 0.0378, wR ref ( F 2 ) = 0.0965, T = 100 K.
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Crystal structure of (E)-1-fluoro-4-(2-(phenylsulfonyl)vinyl)benzene, C₁₄H₁₁FO₂S

June 17, 2025

Bin Liu, Ling-Yun Mao

Page range: 697-699

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C 14 H 11 FO 2 S, monoclinic, P 2 1 / c , a = 8.2908(8) Å, b = 19.3233(18) Å, c = 7.9496(7) Å, β = 91.188(2)°, V = 1,273.3(2) Å 3 , Z = 4, R gt ( F ) = 0.0473, wR ref ( F 2 ) = 0.1266, T = 296 K.
Open Access
Crystal structure of methyl 2-amino-3-chloro-4-methoxybenzoate, C₉H₁₀ClNO₃

June 18, 2025

Defeng Kong, Hongjuan Tong, Bin Liu, Wenqiang Tang

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C 9 H 10 ClNO 3 , monoclinic, P 2 1 (no. 4), a = 10.677(2) Å, b = 4.0074(8) Å, c = 11.866(2) Å, β = 112.108(6)°, V = 470.37(17) Å 3 , Z = 2, R gt ( F ) = 0.0515 wR ref ( F 2 ) = 0.1258, T = 183 K.

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