Information card for entry 2201404

Structure parameters

• Common name: Methyl 2-(2-chlorobenzamido)benzoate
• Chemical name: Methyl 2-(2-chlorobenzamido)benzoate
• Formula: C15 H12 Cl N O3
• Calculated formula: C15 H12 Cl N O3
• SMILES: Clc1c(C(=O)Nc2c(cccc2)C(=O)OC)cccc1
• Title of publication: Methyl 2-(2-chlorobenzamido)benzoate
• Authors of publication: Yadav, Bishwa Nath; Prasad, Shambhu; Prasad, Satya Murti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1198 - o1199
• a: 10.072 ± 0.001 Å
• b: 12.371 ± 0.002 Å
• c: 11.275 ± 0.001 Å
• α: 90°
• β: 99.62 ± 0.02°
• γ: 90°
• Cell volume: 1385.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes