Information card for entry 2007694

Structure parameters

• Chemical name: 4-hydroxymethyl-4-methyl-2-oxazolidinone
• Formula: C5 H9 N O3
• Calculated formula: C5 H9 N O3
• SMILES: O=C1NC(CO1)(CO)C
• Title of publication: Two Oxazolidinone Derivatives
• Authors of publication: Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Fleury, Jennifer R.; Maddox, Spencer D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1529 - 1532
• a: 9.004 ± 0.002 Å
• b: 7.065 ± 0.002 Å
• c: 9.851 ± 0.003 Å
• α: 90°
• β: 97.96 ± 0.02°
• γ: 90°
• Cell volume: 620.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No