Information card for entry 8101502

Structure parameters

• Common name: potassium sulfanilate 1.5 hydrate
• Formula: C6 H9 K N O4.5 S
• Calculated formula: C6 H9 K N O4.5 S
• SMILES: [K+].S(=O)(=O)([O-])c1ccc(cc1)N.O.O
• Title of publication: Crystal structure of potassium sulfanilate sesquihydrate, KH2NC6H4SO3 · 1.5H2O
• Authors of publication: Schreuer, Jürgen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 287 - 288
• a: 23.001 ± 0.005 Å
• b: 7.763 ± 0.002 Å
• c: 10.424 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1861.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0776
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No