Information card for entry 7203722

Structure parameters

• Formula: C6 H12 N2 O3
• Calculated formula: C6 H12 N2 O3
• SMILES: O=C1N(CCC1)CC(=O)N.O
• Title of publication: An exploration of the polymorphism of piracetam using high pressure
• Authors of publication: Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 179
• a: 6.9376 ± 0.0002 Å
• b: 7.445 ± 0.0002 Å
• c: 9.1267 ± 0.0002 Å
• α: 97.732 ± 0.002°
• β: 103.958 ± 0.002°
• γ: 115.766 ± 0.002°
• Cell volume: 396.24 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No