Information card for entry 7101471

Structure parameters

• Common name: 3-Methyl-3-propylpyrrolidine-2,5-dione
• Chemical name: 3-Methyl-3-propylpyrrolidine-2,5-dione
• Formula: C8 H13 N O2
• Calculated formula: C8 H13 N O2
• Title of publication: Combined optimization using Cultural and Differential Evolution: Application to crystal structure solution from powder diffraction data.
• Authors of publication: M.Tremayne; S.Y.Chong
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 39
• a: 12.301 ± 0.002 Å
• b: 6.0698 ± 0.0004 Å
• c: 11.6656 ± 0.0004 Å
• α: 90°
• β: 100.958 ± 0.004°
• γ: 90°
• Cell volume: 855.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 21/c
• Hall space group symbol: -P 2ybc
• RFsqd: 0.198
• Goodness-of-fit parameter for all reflections: 1.04
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No