Information card for entry 2239143

Structure parameters

• Common name: dapsone <i>p</i>-toluenesulfonate
• Chemical name: 4-(4-Aminophenylsulfonyl)anilinium toluene-4-sulfonate
• Formula: C19 H20 N2 O5 S2
• Calculated formula: C19 H20 N2 O5 S2
• SMILES: S(=O)(=O)(c1ccc([NH3+])cc1)c1ccc(N)cc1.S(=O)(=O)([O-])c1ccc(cc1)C
• Title of publication: 4-(4-Aminophenylsulfonyl)anilinium toluene-4-sulfonate
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o37
• a: 5.9516 ± 0.0009 Å
• b: 25.147 ± 0.003 Å
• c: 12.4506 ± 0.0015 Å
• α: 90°
• β: 94.908 ± 0.011°
• γ: 90°
• Cell volume: 1856.6 ± 0.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes