Information card for entry 2010424

Structure parameters

• Formula: C7 H9 F3 N2 O2
• Calculated formula: C7 H9 F3 N2 O2
• SMILES: N1(C(=O)C(CC1)C(=NO)C(F)(F)F)C
• Title of publication: Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one
• Authors of publication: Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Pages of publication: 270 - 272
• a: 9.685 ± 0.003 Å
• b: 7.128 ± 0.002 Å
• c: 13.572 ± 0.004 Å
• α: 90°
• β: 99.78 ± 0.02°
• γ: 90°
• Cell volume: 923.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.23
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No