Information card for entry 1100657

Structure parameters

• Formula: C10 H11 N O S
• Calculated formula: C10 H11 N O S
• SMILES: S=C1O[C@@H]([C@@H](N1)C)c1ccccc1.S=C1O[C@H]([C@H](N1)C)c1ccccc1
• Title of publication: Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione
• Authors of publication: Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki
• Journal of publication: Analytical Sciences: X-ray Structure Analysis Online
• Year of publication: 2003
• Journal volume: 19
• Pages of publication: x15 - x16
• a: 27.238 ± 0.004 Å
• b: 6.0517 ± 0.0008 Å
• c: 11.726 ± 0.003 Å
• α: 90°
• β: 99.433 ± 0.001°
• γ: 90°
• Cell volume: 1906.7 ± 0.6 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No