Information card for entry 2225878

Structure parameters

• Chemical name: 1-benzyl-1<i>H</i>-benzimidazole
• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• SMILES: n1(c2ccccc2nc1)Cc1ccccc1
• Title of publication: An orthorhombic polymorph of 1-benzyl-1<i>H</i>-benzimidazole
• Authors of publication: Zhang, Ying-jun; Zhu, Xue-wen; Qian, Heng-yu; Yin, Zhi-gang; Zhang, Chun-xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1208
• a: 6.124 ± 0.003 Å
• b: 7.443 ± 0.004 Å
• c: 23.86 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1087.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1618
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes