Information card for entry 2232353

Structure parameters

• Chemical name: Ethyl 1-<i>sec</i>-butyl-2-(4-fluorophenyl)-1<i>H</i>-benzimidazole- 5-carboxylate
• Formula: C20 H21 F N2 O2
• Calculated formula: C20 H21 F N2 O2
• SMILES: Fc1ccc(c2n(c3c(n2)cc(cc3)C(=O)OCC)C(CC)C)cc1
• Title of publication: Ethyl 1-<i>sec</i>-butyl-2-(4-fluorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Arumugam, Natarajan; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2938
• a: 10.2249 ± 0.0016 Å
• b: 12.3767 ± 0.0018 Å
• c: 14.149 ± 0.002 Å
• α: 90°
• β: 93.473 ± 0.002°
• γ: 90°
• Cell volume: 1787.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes