Information card for entry 2232227

Structure parameters

• Common name: 2-nitroanilinium bromide
• Chemical name: 2-Nitroanilinium bromide
• Formula: C6 H7 Br N2 O2
• Calculated formula: C6 H7 Br N2 O2
• SMILES: [Br-].c1(c(cccc1)[NH3+])N(=O)=O
• Title of publication: 2-Nitroanilinium bromide
• Authors of publication: Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3035
• a: 8.0268 ± 0.0008 Å
• b: 8.1242 ± 0.0007 Å
• c: 23.7912 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1551.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes