Information card for entry 2238492

Structure parameters

• Chemical name: 1-(4-Methoxyphenyl)pyrrolidine-2,5-dione
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: COc1ccc(cc1)N1C(=O)CCC1=O
• Title of publication: 1-(4-Methoxyphenyl)pyrrolidine-2,5-dione
• Authors of publication: Sirajuddin, Muhammad; Ali, Saqib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1439
• a: 9.3684 ± 0.0007 Å
• b: 6.6146 ± 0.0004 Å
• c: 16.072 ± 0.0011 Å
• α: 90°
• β: 99.939 ± 0.004°
• γ: 90°
• Cell volume: 981.01 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes