Information card for entry 2239166

Structure parameters

• Common name: benzimidazole
• Chemical name: 2-(Naphthalen-1-yl)-1-phenyl-1<i>H</i>-benzimidazole benzene hemisolvate
• Formula: C26 H19 N2
• Calculated formula: C26 H19 N2
• SMILES: c1ccccc1.c1ccc(cc1)n1c2ccccc2nc1c1cccc2c1cccc2
• Title of publication: 2-(Naphthalen-1-yl)-1-phenyl-1<i>H</i>-benzimidazole benzene hemisolvate
• Authors of publication: Srinivasan, N.; Thiruvalluvar, A.; Rosepriya, S.; Prakash, S. M.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o55 - o56
• a: 8.5529 ± 0.0003 Å
• b: 9.4517 ± 0.0003 Å
• c: 11.8936 ± 0.0003 Å
• α: 86.334 ± 0.002°
• β: 89.838 ± 0.002°
• γ: 75.051 ± 0.003°
• Cell volume: 926.94 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes