Information card for entry 2239451

Structure parameters

• Chemical name: 2,3-Diphenylmaleimide 1-methylpyrrolidin-2-one monosolvate
• Formula: C21 H20 N2 O3
• Calculated formula: C21 H20 N2 O3
• SMILES: O=C1NC(=O)C(=C1c1ccccc1)c1ccccc1.O=C1CCCN1C
• Title of publication: 2,3-Diphenylmaleimide 1-methylpyrrolidin-2-one monosolvate
• Authors of publication: Bulatov, Evgeny; Boyarskaya, Dina; Chulkova, Tatiana; Haukka, Matti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o260
• a: 13.1962 ± 0.0003 Å
• b: 10.0002 ± 0.0002 Å
• c: 13.56 ± 0.0003 Å
• α: 90°
• β: 100.469 ± 0.003°
• γ: 90°
• Cell volume: 1759.65 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1009
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes