Information card for entry 2232836

Structure parameters

• Chemical name: Ethyl 1-(butan-2-yl)-2-(2-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C21 H24 N2 O3
• Calculated formula: C21 H24 N2 O3
• SMILES: CCOC(=O)c1ccc2c(c1)nc(n2C(CC)C)c1ccccc1OC
• Title of publication: Ethyl 1-(butan-2-yl)-2-(2-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Arumugam, Natarajan; Ngah, Nurziana; Osman, Hasnah; Abdul Rahim, Aisyah Saad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3231 - o3232
• a: 10.6746 ± 0.0003 Å
• b: 12.3344 ± 0.0004 Å
• c: 15.6158 ± 0.0005 Å
• α: 90°
• β: 106.901 ± 0.001°
• γ: 90°
• Cell volume: 1967.25 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes