Information card for entry 2013889

Structure parameters

• Formula: C9 H15 N O2
• Calculated formula: C9 H15 N O2
• SMILES: N1C(=O)CC(=O)C[C@@H]1CC(C)C
• Title of publication: (6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one
• Authors of publication: Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o204 - o207
• a: 5.076 ± 0.0002 Å
• b: 10.076 ± 0.0004 Å
• c: 10.121 ± 0.0005 Å
• α: 95.691 ± 0.001°
• β: 102.529 ± 0.001°
• γ: 103.73 ± 0.002°
• Cell volume: 484.65 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes