Information card for entry 2238404

Structure parameters

• Common name: 4-sulfomylanilinium perchlorate
• Chemical name: 4-Sulfomylanilinium perchlorate
• Formula: C6 H9 Cl N2 O6 S
• Calculated formula: C6 H9 Cl N2 O6 S
• SMILES: c1(ccc(cc1)[NH3+])S(=O)(=O)N.Cl(=O)(=O)(=O)[O-]
• Title of publication: 4-Sulfamoylanilinium perchlorate
• Authors of publication: Anitha, R.; Athimoolam, S.; Gunasekaran, M.; Sridhar, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1236
• a: 4.9158 ± 0.001 Å
• b: 10.514 ± 0.002 Å
• c: 9.814 ± 0.002 Å
• α: 90°
• β: 93.716 ± 0.003°
• γ: 90°
• Cell volume: 506.17 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes