Information card for entry 2008225

Structure parameters

• Chemical name: (2S,4S,5R)-(-)-2-(1,3-thiazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
• Formula: C14 H16 N2 O S
• Calculated formula: C14 H16 N2 O S
• SMILES: s1c([C@@H]2O[C@@H]([C@@H](N2C)C)c2ccccc2)ncc1
• Title of publication: Intermolecular C—H···N and C—H···O interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-3,4-dimethyl-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
• Authors of publication: Fitzsimons, Lavelle M.; Gallagher, John F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 472 - 474
• a: 10.2981 ± 0.0008 Å
• b: 10.8896 ± 0.0009 Å
• c: 12.1733 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1365.14 ± 0.17 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes