Information card for entry 2311624

Structure parameters

• Chemical name: 2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-benzimidazole
• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: COc1ccc(cc1)c1n(c2c(cccc2)n1)c1ccccc1
• Title of publication: 2-(4-Meth-oxy-phen-yl)-1-phenyl-1H-benzimidazole.
• Authors of publication: Mohandas, T.; Jayamoorthy, K.; Jayabharathi, J.; Sakthivel, P.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 2
• Pages of publication: o269 - 70
• a: 12.322 ± 0.0003 Å
• b: 7.303 ± 0.0002 Å
• c: 18.245 ± 0.0003 Å
• α: 90°
• β: 108.909 ± 0.001°
• γ: 90°
• Cell volume: 1553.22 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No