Information card for entry 2235603

Structure parameters

• Chemical name: 2-<i>sec</i>-Butyl-1-(2-hydroxyethyl)-1<i>H</i>-benzimidazole-5-carboxylic acid
• Formula: C14 H18 N2 O3
• Calculated formula: C14 H18 N2 O3
• SMILES: OCCn1c(nc2c1ccc(c2)C(=O)O)C(CC)C
• Title of publication: 2-<i>sec</i>-Butyl-1-(2-hydroxyethyl)-1<i>H</i>-benzimidazole-5-carboxylic acid
• Authors of publication: Hamzah, Nurasyikin; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o1995
• a: 8.9427 ± 0.0002 Å
• b: 8.2067 ± 0.0002 Å
• c: 18.3536 ± 0.0003 Å
• α: 90°
• β: 94.415 ± 0.001°
• γ: 90°
• Cell volume: 1342.97 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes