Information card for entry 1558964

Structure parameters

• Common name: 2-[N-Morpholino]ethane Sulfonic Acid Hydrate
• Formula: C6 H15 N O5 S
• Calculated formula: C6 H15 N O5 S
• SMILES: S(=O)(=O)([O-])CC.O(CC)CC.[NH4+].O
• Title of publication: Crystal Structure of 2-[N-Morpholino]ethane Sulfonic Acid Hydrate, C6H15NO5S
• Authors of publication: Christensen, A. Norlund; Hazell, R. G.; Lehmann, M. S.; Nielsen, M.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 753 - 756
• a: 8.632 ± 0.004 Å
• b: 9.985 ± 0.006 Å
• c: 11.15 ± 0.006 Å
• α: 90°
• β: 93.77 ± 0.03°
• γ: 90°
• Cell volume: 958.9 ± 0.9 ų
• Ambient diffraction temperature: 293 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: 0.073
• Weighted residual factors for significantly intense reflections: 0.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No