Information card for entry 2225295

Structure parameters

• Chemical name: (<i>E</i>)-3-[2,5-Dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl]acrylic acid
• Formula: C10 H11 N O4
• Calculated formula: C10 H11 N O4
• SMILES: O=C(O)/C=C/N1C(=O)C(=C(C)C)CC1=O
• Title of publication: (<i>E</i>)-3-[2,5-Dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl]acrylic acid
• Authors of publication: Miao, Fang; Qin, Bao-Fu; Yang, Li-Zhen; Yang, Xin-Juan; Zhou, Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o634
• a: 6.5384 ± 0.0014 Å
• b: 7.5309 ± 0.0017 Å
• c: 10.405 ± 0.002 Å
• α: 93.009 ± 0.003°
• β: 101.247 ± 0.002°
• γ: 90.41 ± 0.003°
• Cell volume: 501.73 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes