Information card for entry 4504086

Structure parameters

• Formula: C6 H10 N2 O2
• Calculated formula: C6 H10 N2 O2
• SMILES: C1(=O)N(CCC1)CC(=O)N
• Title of publication: High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam
• Authors of publication: Fabbiani, Francesca P. A.; Allan, David R.; David, William I. F.; Davidson, Alistair J.; Lennie, Alistair R.; Parsons, Simon; Pulham, Colin R.; Warren, John E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1115
• a: 6.263 ± 0.002 Å
• b: 6.2063 ± 0.001 Å
• c: 8.412 ± 0.003 Å
• α: 80.77 ± 0.03°
• β: 114.69 ± 0.02°
• γ: 91.12 ± 0.02°
• Cell volume: 292.83 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1023
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections: 0.2185
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0634
• Diffraction radiation wavelength: 0.6765 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No