Information card for entry 4500780

Structure parameters

• Formula: C6 H10 N2 O2
• Calculated formula: C6 H10 N2 O2
• SMILES: C1(=O)CCCN1CC(=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: 6.353 ± 0.0002 Å
• b: 6.5278 ± 0.0002 Å
• c: 8.3716 ± 0.0002 Å
• α: 80.297 ± 0.001°
• β: 78.226 ± 0.001°
• γ: 89.048 ± 0.001°
• Cell volume: 334.956 ± 0.017 ų
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections included in the refinement: 0.0242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No