Information card for entry 2240556

Structure parameters

• Chemical name: Methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate
• Formula: C17 H16 N2 O5
• Calculated formula: C17 H16 N2 O5
• SMILES: COC(=O)c1ccccc1NC(=O)Nc1ccccc1C(=O)OC
• Title of publication: Crystal stucture of methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate
• Authors of publication: Yassine, Hasna; Khouili, Mostafa; El Ammari, Lahcen; Saadi, Mohamed; Ketatni, El Mostafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o297 - o298
• a: 9.005 ± 0.008 Å
• b: 23.8 ± 0.02 Å
• c: 7.4 ± 0.007 Å
• α: 90°
• β: 93.66 ± 0.04°
• γ: 90°
• Cell volume: 1583 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1218
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes