Information card for entry 2238567

Structure parameters

• Chemical name: 1-[2-(3-Methoxyphenyl)ethyl]pyrrolidine-2,5-dione
• Formula: C13 H15 N O3
• Calculated formula: C13 H15 N O3
• SMILES: COc1cccc(c1)CCN1C(=O)CCC1=O
• Title of publication: 1-[2-(3-Methoxyphenyl)ethyl]pyrrolidine-2,5-dione
• Authors of publication: Fatima, Zeenat; Selvakumar, Jayaraman; Srinivasan, Thothadri; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1489
• a: 12.8719 ± 0.0009 Å
• b: 12.5878 ± 0.0008 Å
• c: 7.4523 ± 0.0005 Å
• α: 90°
• β: 90.831 ± 0.003°
• γ: 90°
• Cell volume: 1207.36 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes