Information card for entry 2210297

Structure parameters

• Chemical name: 2-(4-Methoxybenzoylamino)benzimidazole
• Formula: C15 H13 N3 O2
• Calculated formula: C15 H13 N3 O2
• SMILES: O=C(Nc1[nH]c2ccccc2n1)c1ccc(OC)cc1
• Title of publication: 2-(4-Methoxybenzoylamino)benzimidazole
• Authors of publication: Bo Yang; You-Feng Xia; Sai Bi; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4200 - o4202
• a: 10.158 ± 0.002 Å
• b: 24.784 ± 0.005 Å
• c: 10.474 ± 0.002 Å
• α: 90°
• β: 98.626 ± 0.003°
• γ: 90°
• Cell volume: 2607.1 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes