Information card for entry 2201265

Structure parameters

• Chemical name: (4RS,5RS)-4-Benzyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one
• Formula: C18 H17 N O3 S
• Calculated formula: C18 H17 N O3 S
• SMILES: O=C1O[C@@H]([C@@H](N1)Cc1ccccc1)C(=O)Sc1ccc(cc1)C.O=C1O[C@H]([C@H](N1)Cc1ccccc1)C(=O)Sc1ccc(cc1)C
• Title of publication: (4<i>RS</i>,5<i>RS</i>)-4-Benzyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one
• Authors of publication: Clegg, William; Elsegood, Mark R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o763 - o764
• a: 22.696 ± 0.003 Å
• b: 6.2094 ± 0.0008 Å
• c: 24.555 ± 0.003 Å
• α: 90°
• β: 106.205 ± 0.003°
• γ: 90°
• Cell volume: 3323 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1402
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes