Information card for entry 1543662

Structure parameters

• Chemical name: Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C23 H19 Cl N2 O2
• Calculated formula: C23 H19 Cl N2 O2
• SMILES: Clc1cc(c2n(c3c(n2)cc(C(=O)OCC)cc3)Cc2ccccc2)ccc1
• Title of publication: Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Kumar, S. Madan; Manasa, D.; Kumar, Vasantha; Poojary, Boja; Byrappa, K.; Abdoh, M. M. M.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161068
• a: 11.145 ± 0.003 Å
• b: 9.878 ± 0.002 Å
• c: 18.355 ± 0.004 Å
• α: 90°
• β: 93.952 ± 0.007°
• γ: 90°
• Cell volume: 2015.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.159
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes