Information card for entry 2214615

Structure parameters

• Chemical name: Ammonium 4-hydroxybenzenesulfonate
• Formula: C6 H9 N O4 S
• Calculated formula: C6 H9 N O4 S
• SMILES: S(=O)(=O)([O-])c1ccc(O)cc1.[NH4+]
• Title of publication: Ammonium 4-hydroxybenzenesulfonate
• Authors of publication: Kui-Wu Wang; Wen-Jie Feng; Hai-Yan Li; Lin-Lin Ma; Zhi-Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3481 - o3481
• a: 10.227 ± 0.002 Å
• b: 7.1414 ± 0.0013 Å
• c: 11.461 ± 0.002 Å
• α: 90°
• β: 100.163 ± 0.004°
• γ: 90°
• Cell volume: 823.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes