Information card for entry 2223329

Structure parameters

• Chemical name: 4-Bromo-3-methylanilinium perchlorate
• Formula: C7 H9 Br Cl N O4
• Calculated formula: C7 H9 Br Cl N O4
• SMILES: Brc1ccc([NH3+])cc1C.Cl(=O)(=O)(=O)[O-]
• Title of publication: 4-Bromo-3-methylanilinium perchlorate
• Authors of publication: Zhang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2422
• a: 4.9455 ± 0.001 Å
• b: 6.9647 ± 0.0014 Å
• c: 15.714 ± 0.003 Å
• α: 95.78 ± 0.03°
• β: 94.4 ± 0.03°
• γ: 102.62 ± 0.03°
• Cell volume: 522.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes