Information card for entry 2228613

Structure parameters

• Chemical name: 2-Benzoyl-1<i>H</i>-benzimidazole
• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• SMILES: O=C(c1[nH]c2ccccc2n1)c1ccccc1
• Title of publication: 2-Benzoyl-1<i>H</i>-benzimidazole
• Authors of publication: Ai, Lin; Shen, Xiu-Min; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3164
• a: 14.7356 ± 0.0008 Å
• b: 9.953 ± 0.0012 Å
• c: 15.7981 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2317 ± 0.4 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: 0.0606
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes