Information card for entry 2211164

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-1H-benzimidazole
• Formula: C13 H9 Cl N2
• Calculated formula: C13 H9 Cl N2
• SMILES: Clc1ccc(c2nc3ccccc3[nH]2)cc1
• Title of publication: 2-(4-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: 11
• Pages of publication: o5194 - o5195
• a: 9.1284 ± 0.0018 Å
• b: 9.783 ± 0.002 Å
• c: 24.156 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes