Information card for entry 8101547

Structure parameters

• Common name: ammonium sulfanilate hydrate
• Formula: C6 H12 N2 O4 S
• Calculated formula: C6 H12 N2 O4 S
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)N.[NH4+].O
• Title of publication: Crystal structure of ammonium sulfanilate hydrate, NH4H~2~NC~6~H4SO~3~ · H~2~O
• Authors of publication: Schreuer, Jürgen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 315 - 316
• a: 11.317 ± 0.002 Å
• b: 7.562 ± 0.002 Å
• c: 11.827 ± 0.002 Å
• α: 90°
• β: 109.19 ± 0.03°
• γ: 90°
• Cell volume: 955.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0811
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No