Information card for entry 2235717

Structure parameters

• Chemical name: 2-Chloroanilinium perchlorate
• Formula: C6 H7 Cl2 N O4
• Calculated formula: C6 H7 Cl2 N O4
• SMILES: Clc1c([NH3+])cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: 2-Chloroanilinium perchlorate
• Authors of publication: Zhou, Benhua; Cai, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2113
• a: 11.069 ± 0.002 Å
• b: 7.3093 ± 0.0015 Å
• c: 13.718 ± 0.005 Å
• α: 90°
• β: 125.737 ± 0.019°
• γ: 90°
• Cell volume: 900.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 2.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes