Information card for entry 2233638

Structure parameters

• Chemical name: Ethyl 1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole- 5-carboxylate monohydrate
• Formula: C19 H22 N2 O5
• Calculated formula: C19 H22 N2 O5
• SMILES: O(C(=O)c1ccc2n(c(nc2c1)c1ccc(OC)cc1)CCO)CC.O
• Title of publication: Ethyl 1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate monohydrate
• Authors of publication: Arumugam, Natarajan; Ngah, Nurziana; Osman, Hasnah; Abdul Rahim, Aisyah Saad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o421
• a: 10.6364 ± 0.0011 Å
• b: 9.5089 ± 0.001 Å
• c: 19.3765 ± 0.0017 Å
• α: 90°
• β: 112.899 ± 0.005°
• γ: 90°
• Cell volume: 1805.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes