Information card for entry 2217099

Structure parameters

• Chemical name: Methyl 2-(1,3-dioxoisoindolin-2-yl)acrylate
• Formula: C12 H9 N O4
• Calculated formula: C12 H9 N O4
• SMILES: c12c(cccc1)C(=O)N(C2=O)C(=C)C(=O)OC
• Title of publication: Methyl 2-(1,3-dioxoisoindolin-2-yl)acrylate
• Authors of publication: Ya-Wen Wang; Yu Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o296 - o296
• a: 6.5179 ± 0.0003 Å
• b: 7.4817 ± 0.0004 Å
• c: 11.7322 ± 0.0006 Å
• α: 80.954 ± 0.002°
• β: 78.866 ± 0.002°
• γ: 76.723 ± 0.002°
• Cell volume: 542.52 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes