Information card for entry 2239207

Structure parameters

• Chemical name: 2,5-Dioxopyrrolidin-1-yl 2-methylprop-2-enoate
• Formula: C8 H9 N O4
• Calculated formula: C8 H9 N O4
• SMILES: O=C(C(=C)C)ON1C(=O)CCC1=O
• Title of publication: 2,5-Dioxopyrrolidin-1-yl 2-methylprop-2-enoate
• Authors of publication: Pearson, Wayne H.; Lin, Shirley; Isaacs, Lyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o446
• a: 9.6137 ± 0.0008 Å
• b: 10.9317 ± 0.0009 Å
• c: 8.4911 ± 0.0007 Å
• α: 90°
• β: 102.522 ± 0.002°
• γ: 90°
• Cell volume: 871.14 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes