Information card for entry 2201217

Structure parameters

• Common name: N-methylmethanesulfonamide
• Chemical name: N-methylmethanesulfonamide
• Formula: C2 H7 N O2 S
• Calculated formula: C2 H7 N O2 S
• SMILES: CNS(=O)(=O)C
• Title of publication: <i>N</i>-Methylmethanesulfonamide at 150K
• Authors of publication: Timothy C. Higgs; Andrew Parkin; Simon Parsons; Peter A. Tasker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o523 - o525
• a: 6.6676 ± 0.0013 Å
• b: 8.9717 ± 0.0018 Å
• c: 8.5003 ± 0.0016 Å
• α: 90°
• β: 104.358 ± 0.004°
• γ: 90°
• Cell volume: 492.6 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes