Information card for entry 2209645

Structure parameters

• Common name: 2-(4-Methoxyphenyl)-1H-benzimidazole
• Chemical name: 2-(4-Methoxyphenyl)-1H-benzimidazole
• Formula: C14 H12 N2 O
• Calculated formula: C14 H12 N2 O
• SMILES: c12ccccc1nc(c1ccc(cc1)OC)[nH]2
• Title of publication: 2-(4-Methoxyphenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Moreno-Diaz, Hermenegilda; Navarrete-Vázquez, Gabriel; Estrada-Soto, Samuel; Tlahuext, Hugo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2601 - o2602
• a: 11.354 ± 0.002 Å
• b: 10.562 ± 0.002 Å
• c: 9.868 ± 0.002 Å
• α: 90°
• β: 112.22 ± 0.03°
• γ: 90°
• Cell volume: 1095.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes