Information card for entry 7234606

Structure parameters

• Chemical name: 3-phenylpyrrolidine-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: 9.285 ± 0.005 Å
• b: 10.118 ± 0.005 Å
• c: 15.913 ± 0.008 Å
• α: 80.568 ± 0.006°
• β: 81.516 ± 0.006°
• γ: 65.604 ± 0.006°
• Cell volume: 1337.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0762
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1299
• 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: No