Information card for entry 2225742

Structure parameters

• Chemical name: Ethyl 1-<i>sec</i>-butyl-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C21 H24 N2 O3
• Calculated formula: C21 H24 N2 O3
• SMILES: O=C(OCC)c1ccc2n(c(nc2c1)c1ccc(OC)cc1)C(CC)C
• Title of publication: Ethyl 1-<i>sec</i>-butyl-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Arumugam, Natarajan; Abdul Rahim, Aisyah Saad; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o845
• a: 10.5815 ± 0.0003 Å
• b: 12.1079 ± 0.0003 Å
• c: 15.105 ± 0.0003 Å
• α: 90°
• β: 93.678 ± 0.002°
• γ: 90°
• Cell volume: 1931.26 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1416
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1502
• 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