Information card for entry 2220704

Structure parameters

• Chemical name: 1-Benzyl-2-phenyl-1<i>H</i>-benzimidazole
• Formula: C20 H16 N2
• Calculated formula: C20 H16 N2
• SMILES: n1(c(nc2c1cccc2)c1ccccc1)Cc1ccccc1
• Title of publication: 1-Benzyl-2-phenyl-1<i>H</i>-benzimidazole
• Authors of publication: Kong, Lingqian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o316
• a: 6.338 ± 0.003 Å
• b: 8.085 ± 0.003 Å
• c: 30.19 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1547 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes