Information card for entry 7234607

Structure parameters

• Chemical name: rac-3-phenylpyrrolidin-2,5-dione
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• Title of publication: Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3
• Authors of publication: Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 15.51 ± 0.14 Å
• b: 5.64 ± 0.05 Å
• c: 20.49 ± 0.16 Å
• α: 90°
• β: 108.1 ± 0.1°
• γ: 90°
• Cell volume: 1704 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No