Information card for entry 2014979

Structure parameters

• Common name: methyl sulfoxide
• Chemical name: dimethyl sulfoxide
• Formula: C2 D6 O S
• Calculated formula: C2 D6 O S
• SMILES: S(C([2H])([2H])[2H])(=O)C([2H])([2H])[2H]
• Title of publication: Neutron powder diffraction studies of dimethyl sulfoxide
• Authors of publication: Ibberson, Richard M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o571 - o573
• a: 5.2213 ± 0.0001 Å
• b: 6.7525 ± 0.0001 Å
• c: 11.2121 ± 0.0001 Å
• α: 90°
• β: 94.846 ± 0.0003°
• γ: 90°
• Cell volume: 393.89 ± 0.01 ų
• Cell temperature: 2 K
• Ambient diffraction temperature: 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.38
• Diffraction radiation probe: neutron
• Diffraction radiation type: time-of-flightneutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No