Information card for entry 7203723

Structure parameters

• Formula: C6 H10 N2 O2
• Calculated formula: C6 H10 N2 O2
• SMILES: N1(C(=O)CCC1)CC(=O)N
• 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: 8.9537 ± 0.0011 Å
• b: 5.4541 ± 0.0006 Å
• c: 13.61 ± 0.004 Å
• α: 90°
• β: 104.93 ± 0.02°
• γ: 90°
• Cell volume: 642.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No