Information card for entry 2210047

Structure parameters

• Chemical name: 1-(2-Chlorobenzyl)-2-(2-chlorophenyl)-1<i>H</i>-benzimidazole
• Formula: C20 H14 Cl2 N2
• Calculated formula: C20 H14 Cl2 N2
• SMILES: Clc1c(Cn2c3c(nc2c2ccccc2Cl)cccc3)cccc1
• Title of publication: 1-(2-Chlorobenzyl)-2-(2-chlorophenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Pu-Su Zhao; Hai-Lian Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3608 - o3609
• a: 9.1302 ± 0.0018 Å
• b: 9.6848 ± 0.0019 Å
• c: 10.862 ± 0.002 Å
• α: 90.29 ± 0.03°
• β: 98.89 ± 0.03°
• γ: 115.61 ± 0.03°
• Cell volume: 852.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes