Information card for entry 2215250

Structure parameters

• Chemical name: 3-Hydroxyanilinium bromide
• Formula: C6 H8 Br N O
• Calculated formula: C6 H8 Br N O
• SMILES: [Br-].Oc1cc([NH3+])ccc1
• Title of publication: 3-Hydroxyanilinium bromide
• Authors of publication: Dominik Cinčić; Branko Kaitner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3873 - o3873
• a: 7.6661 ± 0.0014 Å
• b: 6.1482 ± 0.0009 Å
• c: 15.792 ± 0.002 Å
• α: 90°
• β: 96.437 ± 0.013°
• γ: 90°
• Cell volume: 739.6 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes