Information card for entry 2223682

Structure parameters

• Chemical name: 1-Benzyl-1<i>H</i>-benzimidazole
• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• SMILES: n1(cnc2ccccc12)Cc1ccccc1
• Title of publication: 1-Benzyl-1<i>H</i>-benzimidazole
• Authors of publication: Lei, Gang; Zhou, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2613
• a: 6.2265 ± 0.001 Å
• b: 8.174 ± 0.0013 Å
• c: 20.975 ± 0.004 Å
• α: 90°
• β: 97.839 ± 0.002°
• γ: 90°
• Cell volume: 1057.6 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes