Information card for entry 2233724

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-1-phenyl-1<i>H</i>-benzimidazole
• Formula: C19 H13 Cl N2
• Calculated formula: C19 H13 Cl N2
• SMILES: Clc1ccc(cc1)c1nc2ccccc2n1c1ccccc1
• Title of publication: 2-(4-Chlorophenyl)-1-phenyl-1<i>H</i>-benzimidazole
• Authors of publication: Kassim, Karimah; Hashim, N. Zakiah N.; Fadzil, Adibatul Husna; Yusof, M. Sukeri M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o799
• a: 8.2981 ± 0.0001 Å
• b: 9.2963 ± 0.0002 Å
• c: 20.7796 ± 0.0003 Å
• α: 90°
• β: 112.815 ± 0.001°
• γ: 90°
• Cell volume: 1477.56 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes