Information card for entry 2208915

Structure parameters

• Chemical name: 3,3-Dimethylpyrrolidine-2,4-dione
• Formula: C6 H9 N O2
• Calculated formula: C6 H9 N O2
• SMILES: O=C1CNC(=O)C1(C)C
• Title of publication: 3,3-Dimethylpyrrolidine-2,4-dione
• Authors of publication: Hamzah, A. Sazali; Shaameri, Zurina; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1795 - o1797
• a: 28.745 ± 0.006 Å
• b: 12.653 ± 0.002 Å
• c: 11.588 ± 0.002 Å
• α: 90°
• β: 101.966 ± 0.003°
• γ: 90°
• Cell volume: 4123.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes