Information card for entry 2225729

Structure parameters

• Chemical name: 2-(Morpholinium-4-yl)ethylammonium sulfate methanol monosolvate
• Formula: C7 H20 N2 O6 S
• Calculated formula: C7 H20 N2 O6 S
• SMILES: S(=O)(=O)([O-])[O-].OC.O1CC[NH+](CC1)CC[NH3+]
• Title of publication: 2-(Morpholinium-4-yl)ethylammonium sulfate methanol monosolvate
• Authors of publication: Bi, Ye
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o951
• a: 15.593 ± 0.014 Å
• b: 8.573 ± 0.008 Å
• c: 9.483 ± 0.009 Å
• α: 90°
• β: 106.395 ± 0.011°
• γ: 90°
• Cell volume: 1216 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2457
• Weighted residual factors for all reflections included in the refinement: 0.2861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes