Information card for entry 2236661

Structure parameters

• Common name: benzimidazole
• Chemical name: 2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-benzimidazole
• Formula: C19 H13 F N2
• Calculated formula: C19 H13 F N2
• SMILES: Fc1ccc(c2n(c3ccccc3n2)c2ccccc2)cc1
• Title of publication: 2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-benzimidazole
• Authors of publication: Jayamoorthy, K.; Rosepriya, S.; Thiruvalluvar, A.; Jayabharathi, J.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2708
• a: 8.7527 ± 0.0004 Å
• b: 10.1342 ± 0.0004 Å
• c: 17.0211 ± 0.0006 Å
• α: 90°
• β: 104.187 ± 0.004°
• γ: 90°
• Cell volume: 1463.75 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes