Information card for entry 2206804

Structure parameters

• Chemical name: p-Bromoaniline hydrochloride
• Formula: C6 H7 Br Cl N
• Calculated formula: C6 H7 Br Cl N
• SMILES: Brc1ccc([NH3+])cc1.[Cl-]
• Title of publication: <i>p</i>-Bromoanilinium chloride
• Authors of publication: Gustavo Portalone
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3083 - o3085
• a: 8.629 ± 0.002 Å
• b: 9.784 ± 0.002 Å
• c: 9.863 ± 0.009 Å
• α: 90°
• β: 105.61 ± 0.05°
• γ: 90°
• Cell volume: 802 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.710689 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes