Information card for entry 2237608

Structure parameters

• Chemical name: Bis(4-sulfamoylanilinium) sulfate
• Formula: C12 H18 N4 O8 S3
• Calculated formula: C12 H18 N4 O8 S3
• SMILES: c1(ccc(cc1)[NH3+])S(=O)(=O)N.S(=O)(=O)([O-])[O-].c1(ccc(cc1)[NH3+])S(=O)(=O)N
• Title of publication: Bis(4-sulfamoylanilinium) sulfate
• Authors of publication: Ravikumar, B.; Pandiarajan, S.; Athimoolam, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o596
• a: 9.6543 ± 0.0006 Å
• b: 9.7591 ± 0.0011 Å
• c: 18.579 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes