Information card for entry 2234211

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-(4-methoxy-2-nitrophenyl)benzamide
• Formula: C14 H11 Br N2 O4
• Calculated formula: C14 H11 Br N2 O4
• SMILES: Brc1ccc(cc1)C(=O)Nc1c(N(=O)=O)cc(OC)cc1
• Title of publication: 4-Bromo-<i>N</i>-(4-methoxy-2-nitrophenyl)benzamide
• Authors of publication: Sripet, Weerawat; Chantrapromma, Suchada; Ruanwas, Pumsak; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1234
• a: 6.1219 ± 0.0002 Å
• b: 7.6519 ± 0.0003 Å
• c: 14.3504 ± 0.0006 Å
• α: 89.197 ± 0.001°
• β: 84.795 ± 0.001°
• γ: 77.983 ± 0.001°
• Cell volume: 654.78 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0271
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes