Information card for entry 2006812

Structure parameters

• Chemical name: 1-Ethyl-3-hydroxy-4,4-dimethyl-pyrrolidone-2
• Formula: C8 H15 N O2
• Calculated formula: C8 H15 N O2
• SMILES: N1(C(=O)C(C(C1)(C)C)O)CC
• Title of publication: 1-Ethyl-3-hydroxy-4,4-dimethyl-2-pyrrolidone
• Authors of publication: Hollenberg, Niels; Grahn, Walter; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1851 - 1852
• a: 9.0207 ± 0.0006 Å
• b: 10.1127 ± 0.0008 Å
• c: 10.5364 ± 0.001 Å
• α: 90°
• β: 111.809 ± 0.006°
• γ: 90°
• Cell volume: 892.38 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.099
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No