Information card for entry 2239389

Structure parameters

• Common name: 4-Bromo-<i>N</i>-(2-nitrophenyl)benzamide
• Chemical name: 4-Bromo-<i>N</i>-(2-nitrophenyl)-benzamide
• Formula: C13 H9 Br N2 O3
• Calculated formula: C13 H9 Br N2 O3
• SMILES: Brc1ccc(cc1)C(=O)Nc1c(N(=O)=O)cccc1
• Title of publication: 4-Bromo-<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: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o344
• a: 3.8338 ± 0.0004 Å
• b: 12.6784 ± 0.0013 Å
• c: 24.918 ± 0.002 Å
• α: 81.875 ± 0.008°
• β: 88.386 ± 0.007°
• γ: 85.46 ± 0.008°
• Cell volume: 1195.1 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes