Information card for entry 8106126

Structure parameters

• Formula: C20 H19 Cl4 N3 O3 S
• Calculated formula: C20 H19 Cl4 N3 O3 S
• SMILES: s1c(COc2c(OC)cc(c3nc4c([nH]3)cccc4)cc2)cnc1Cl.ClC(Cl)Cl.OC
• Title of publication: Crystal structure of 5-((4-(1H-benzo[d]imidazol-2-yl)-2-methoxyphenoxy)methyl)-2-chlorothiazole - trichloromethane - methanol (1/1/1), C20H19Cl4N3O3S
• Authors of publication: Wang, An-Jia; Zhang, Yun-Hui; Zhang, Zhi; Weng, Ai-Zhen; Wang, Liu-Yang; She, Dong-Mei; Ning, Jun; Si, Wei-Jie; Mei, Xiang-Dong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 281 - 282
• a: 14.2134 ± 0.0009 Å
• b: 21.4083 ± 0.0013 Å
• c: 7.6709 ± 0.0005 Å
• α: 90°
• β: 99.26 ± 0.006°
• γ: 90°
• Cell volume: 2303.7 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No