Information card for entry 2006334

Structure parameters

• Common name: oxazolidinone
• Chemical name: 2-oxazolidinone
• Formula: C3 H5 N O2
• Calculated formula: C3 H5 N O2
• SMILES: N1CCOC1=O
• Title of publication: 2-Oxazolidinone
• Authors of publication: Wouters, Johan; Ooms, Frederic; Durant, Francois
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 895 - 897
• a: 7.318 ± 0.0015 Å
• b: 5.673 ± 0.0011 Å
• c: 9.989 ± 0.002 Å
• α: 90°
• β: 110.79 ± 0.03°
• γ: 90°
• Cell volume: 387.69 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.0995
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No