Information card for entry 2226590

Structure parameters

• Common name: Ethyl 1-(2-hydroxyethyl)-2-phenyl-1<i>H</i>-benzimidazole-5-carboxylate
• Chemical name: Ethyl 1-(2-hydroxyethyl)-2-phenyl-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C18 H18 N2 O3
• Calculated formula: C18 H18 N2 O3
• SMILES: OCCn1c(nc2c1ccc(c2)C(=O)OCC)c1ccccc1
• Title of publication: Ethyl 1-(2-hydroxyethyl)-2-phenyl-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Hamzah, Nurasyikin; Abd. Hamid, Shafida; Abdul Rahim, Aisyah Saad; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1824 - o1825
• a: 8.997 ± 0.002 Å
• b: 12.988 ± 0.003 Å
• c: 15.03 ± 0.003 Å
• α: 103.764 ± 0.006°
• β: 107.202 ± 0.006°
• γ: 102.929 ± 0.006°
• Cell volume: 1545.5 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0783
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes