Information card for entry 4029741

Structure parameters

• Chemical name: Sodium Morpholinomethanesulfonate
• Formula: C5 H10 N Na O4 S
• Calculated formula: C5 H10 N Na O4 S
• SMILES: S(=O)(=O)([O-])CN1CCOCC1.[Na+]
• Title of publication: Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series.
• Authors of publication: Long, Robert D.; Hilliard, Newton P.; Chhatre, Suneel A.; Timofeeva, Tatiana V.; Yakovenko, Andrey A.; Dei, Daniel K.; Mensah, Enoch A.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2010
• Journal volume: 6
• Pages of publication: 31
• a: 11.0884 ± 0.001 Å
• b: 7.3529 ± 0.0009 Å
• c: 10.3794 ± 0.0014 Å
• α: 90°
• β: 105.071 ± 0.01°
• γ: 90°
• Cell volume: 817.14 ± 0.17 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.0303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0282
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No