Information card for entry 2226469

Structure parameters

• Chemical name: Ethyl 1-(2-hydroxyethyl)-2-<i>p</i>-tolyl-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C19 H20 N2 O3
• Calculated formula: C19 H20 N2 O3
• SMILES: OCCn1c(nc2c1ccc(c2)C(=O)OCC)c1ccc(cc1)C
• Title of publication: Ethyl 1-(2-hydroxyethyl)-2-<i>p</i>-tolyl-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Arumugam, Natarajan; Abdul Rahim, Aisyah Saad; Wahab, Habibah A.; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1590 - o1591
• a: 9.04 ± 0.0009 Å
• b: 12.6806 ± 0.0013 Å
• c: 15.5504 ± 0.0017 Å
• α: 74.17 ± 0.002°
• β: 74.36 ± 0.002°
• γ: 76.721 ± 0.002°
• Cell volume: 1627.9 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.065
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes