Information card for entry 2209328

Structure parameters

• Common name: Sulfanilic acid monohydrate
• Chemical name: sulfanilic acid monohydrate
• Formula: C6 H9 N O4 S
• Calculated formula: C6 H9 N O4 S
• SMILES: S(=O)(=O)([O-])c1ccc([NH3+])cc1.O
• Title of publication: A new polymorph of sulfanilic acid monohydrate
• Authors of publication: Afroza Banu; G. M. Golzar Hossain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2252 - o2253
• a: 6.163 ± 0.0006 Å
• b: 6.9607 ± 0.0005 Å
• c: 18.3251 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 786.12 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes