Information card for entry 2241024

Structure parameters

• Common name: 3-chloro-N-(2-nitrophenyl)benzamide
• Chemical name: 3-Chloro-<i>N</i>-(2-nitrophenyl)benzamide
• Formula: C13 H9 Cl N2 O3
• Calculated formula: C13 H9 Cl N2 O3
• SMILES: Clc1cc(ccc1)C(=O)Nc1c(N(=O)=O)cccc1
• Title of publication: Crystal structure of 3-chloro-<i>N</i>-(2-nitrophenyl)benzamide
• Authors of publication: Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o674
• a: 12.63 ± 0.0009 Å
• b: 14.1462 ± 0.0012 Å
• c: 6.7797 ± 0.0006 Å
• α: 90°
• β: 105.475 ± 0.007°
• γ: 90°
• Cell volume: 1167.39 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1075
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes