Information card for entry 2229190

Structure parameters

• Chemical name: <i>N</i>-(4-Bromophenyl)-4-nitrobenzamide
• Formula: C13 H9 Br N2 O3
• Calculated formula: C13 H9 Br N2 O3
• SMILES: Brc1ccc(NC(=O)c2ccc(N(=O)=O)cc2)cc1
• Title of publication: <i>N</i>-(4-Bromophenyl)-4-nitrobenzamide
• Authors of publication: Saeed, Sohail; Jasinski, Jerry P.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o279
• a: 4.57903 ± 0.00006 Å
• b: 12.92579 ± 0.00015 Å
• c: 20.5614 ± 0.0003 Å
• α: 90°
• β: 96.0333 ± 0.0011°
• γ: 90°
• Cell volume: 1210.24 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes