Information card for entry 2230136

Structure parameters

• Common name: <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide monohydrate
• Chemical name: <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)butanediamide monohydrate
• Formula: C17 H19 Cl N2 O3
• Calculated formula: C17 H19 Cl N2 O3
• SMILES: Clc1cc(NC(=O)CCC(=O)Nc2c(cccc2)C)ccc1.O
• Title of publication: <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide monohydrate
• Authors of publication: Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1223
• a: 14.875 ± 0.004 Å
• b: 13.908 ± 0.003 Å
• c: 8.088 ± 0.002 Å
• α: 90°
• β: 90.11 ± 0.02°
• γ: 90°
• Cell volume: 1673.3 ± 0.7 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: 0.2231
• Residual factor for significantly intense reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes