Information card for entry 4500781

Structure parameters

• Formula: C6 H10 N2 O2
• Calculated formula: C6 H10 N2 O2
• SMILES: O=C1N(CCC1)CC(=O)N
• Title of publication: Electron and Electrostatic Properties of Three Crystal Forms of Piracetam
• Authors of publication: Chambrier, Marie-Hélène; Bouhmaida, Nouzha; Bonhomme, François; Lebègue, Sébastien; Gillet, Jean-Michel; Jelsch, Christian; Ghermani, Nour Eddine
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2528
• a: 6.4539 ± 0.0005 Å
• b: 6.3857 ± 0.0005 Å
• c: 16.1814 ± 0.001 Å
• α: 90°
• β: 92.057 ± 0.005°
• γ: 90°
• Cell volume: 666.45 ± 0.08 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.0273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No