Information card for entry 2224195

Structure parameters

• Chemical name: 1-(3-Pyridyl)pyrrolidine-2,5-dione
• Formula: C9 H8 N2 O2
• Calculated formula: C9 H8 N2 O2
• SMILES: c1(cnccc1)N1C(=O)CCC1=O
• Title of publication: 1-(3-Pyridyl)pyrrolidine-2,5-dione
• Authors of publication: Hou, Hong-Bo; Liu, Yi-Ming; Yang, Luan-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3054
• a: 12.137 ± 0.008 Å
• b: 10.838 ± 0.006 Å
• c: 6.831 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 898.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes