Information card for entry 2224976

Structure parameters

• Chemical name: (4-Benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
• Formula: C12 H15 N O5 S
• Calculated formula: C12 H15 N O5 S
• SMILES: S(=O)(=O)(OC[C@@H]1OC(=O)N[C@H]1Cc1ccccc1)C
• Title of publication: (4-Benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
• Authors of publication: Cunico, Wilson; Gomes, Claudia R. B.; Tiekink, Edward R. T.; Vellasco Junior, Walcimar T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o267 - o268
• a: 8.7332 ± 0.0005 Å
• b: 5.8757 ± 0.0003 Å
• c: 12.965 ± 0.0007 Å
• α: 90°
• β: 103.317 ± 0.003°
• γ: 90°
• Cell volume: 647.39 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes