Information card for entry 2234057

Structure parameters

• Chemical name: 2-[(3<i>R</i>,6<i>R</i>)-6-methyl-2,5-dioxomorpholin-3-yl]- <i>N</i>-(propan-2-yl)acetamide
• Formula: C10 H16 N2 O4
• Calculated formula: C10 H16 N2 O4
• SMILES: N1C(=O)[C@H](OC(=O)[C@H]1CC(=O)NC(C)C)C
• Title of publication: 2-[(3<i>R</i>,6<i>R</i>)-6-Methyl-2,5-dioxomorpholin-3-yl]-<i>N</i>-(propan-2-yl)acetamide
• Authors of publication: Lu, De-dai; Zhang, Hu; Luo, Juan; Yang, Li-qiang; Duan, Peng-xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o896
• a: 8.038 ± 0.003 Å
• b: 5.678 ± 0.002 Å
• c: 12.656 ± 0.005 Å
• α: 90°
• β: 105.476 ± 0.004°
• γ: 90°
• Cell volume: 556.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes