Information card for entry 2231024

Structure parameters

• Chemical name: 1,3-Dibenzyl-5-chloro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C21 H17 Cl N2 O
• Calculated formula: C21 H17 Cl N2 O
• SMILES: Clc1cc2N(C(=O)N(c2cc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,3-Dibenzyl-5-chloro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Dardouri, Rachida; Rodi, Youssef Kandri; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2136
• a: 11.038 ± 0.0004 Å
• b: 9.2863 ± 0.0003 Å
• c: 33.2679 ± 0.0013 Å
• α: 90°
• β: 92.297 ± 0.002°
• γ: 90°
• Cell volume: 3407.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1014
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes