Information card for entry 8101474

Structure parameters

• Formula: C5 H9 N O S
• Calculated formula: C5 H9 N O S
• SMILES: S=C1OCC(N1)(C)C
• Title of publication: Crystal structure of 4,4-dimethyloxazolidine-2-thione, C5H9NOS
• Authors of publication: Gray, Thomas; Laplaza, Catalina E.; Staples, Richard J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 230 - 230
• a: 5.7511 ± 0.0005 Å
• b: 17.022 ± 0.002 Å
• c: 7.2499 ± 0.0007 Å
• α: 90°
• β: 99.024 ± 0.002°
• γ: 90°
• Cell volume: 701 ± 0.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0944
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No