Information card for entry 2311116

Structure parameters

• Common name: benzimidazole
• Chemical name: 2-(1-Phenyl-1<i>H</i>-benzimidazol-2-yl)phenol
• Formula: C19 H14 N2 O
• Calculated formula: C19 H14 N2 O
• SMILES: Oc1c(c2n(c3ccccc3n2)c2ccccc2)cccc1
• Title of publication: 2-(1-Phenyl-1H-benzimidazol-2-yl)phenol.
• Authors of publication: Thiruvalluvar, A.; Rosepriya, S.; Jayamoorthy, K.; Jayabharathi, J.; Oztürk Yildirim, Sema; Butcher, R. J.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 1
• Pages of publication: o62
• a: 8.1941 ± 0.0006 Å
• b: 9.5983 ± 0.0014 Å
• c: 10.3193 ± 0.0018 Å
• α: 64.637 ± 0.016°
• β: 80.356 ± 0.01°
• γ: 83.61 ± 0.009°
• Cell volume: 722.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No