Information card for entry 2231803

Structure parameters

• Chemical name: Ethyl 1-(2-hydroxyethyl)-2-propyl-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C15 H20 N2 O3
• Calculated formula: C15 H20 N2 O3
• SMILES: O(C(=O)c1cc2nc(n(c2cc1)CCO)CCC)CC
• Title of publication: Ethyl 1-(2-hydroxyethyl)-2-propyl-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Hamzah, Nurasyikin; 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: 10
• Pages of publication: o2704
• a: 8.5081 ± 0.0003 Å
• b: 8.5573 ± 0.0003 Å
• c: 10.0117 ± 0.0004 Å
• α: 94.671 ± 0.003°
• β: 106.903 ± 0.002°
• γ: 98.334 ± 0.003°
• Cell volume: 684.16 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes