Information card for entry 2236907

Structure parameters

• Common name: 1H-benzimidazole
• Chemical name: 1,2-Diphenyl-1<i>H</i>-benzimidazole
• Formula: C19 H14 N2
• Calculated formula: C19 H14 N2
• SMILES: n1(c(nc2ccccc12)c1ccccc1)c1ccccc1
• Title of publication: 1,2-Diphenyl-1<i>H</i>-benzimidazole
• Authors of publication: Rosepriya, S.; Thiruvalluvar, A.; Jayamoorthy, K.; Jayabharathi, J.; Öztürk Yildirim, Sema; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3283
• a: 10.1878 ± 0.0003 Å
• b: 16.6399 ± 0.0004 Å
• c: 17.4959 ± 0.0005 Å
• α: 90°
• β: 106.205 ± 0.003°
• γ: 90°
• Cell volume: 2848.13 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes