Information card for entry 2214942

Structure parameters

• Chemical name: 1-(4-Chlorobenzyl)-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole
• Formula: C20 H14 Cl2 N2
• Calculated formula: C20 H14 Cl2 N2
• SMILES: Clc1ccc(c2n(c3c(n2)cccc3)Cc2ccc(Cl)cc2)cc1
• Title of publication: 1-(4-Chlorobenzyl)-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Yang, Shu-Ping; Wang, Da-Qi; Han, Li-Jun; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3758 - o3758
• a: 11.6427 ± 0.0017 Å
• b: 5.442 ± 0.0007 Å
• c: 13.2339 ± 0.0019 Å
• α: 90°
• β: 90.936 ± 0.002°
• γ: 90°
• Cell volume: 838.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes