Information card for entry 2239894

Structure parameters

• Chemical name: 4-Sulfamoylanilinium dihydrogen phosphate
• Formula: C6 H11 N2 O6 P S
• Calculated formula: C6 H11 N2 O6 P S
• SMILES: c1(ccc(cc1)S(=O)(=O)N)[NH3+].O=P([O-])(O)O
• Title of publication: Crystal structure of 4-sulfamoylanilinium dihydrogen phosphate
• Authors of publication: Muthuselvi, C.; Mala, N.; Srinivasan, N.; Pandiarajan, S.; Krishnakumar, R. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o997 - o998
• a: 4.8041 ± 0.0007 Å
• b: 10.8564 ± 0.0015 Å
• c: 10.3862 ± 0.0015 Å
• α: 90°
• β: 101.067 ± 0.002°
• γ: 90°
• Cell volume: 531.62 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes