Information card for entry 4504088

Structure parameters

• Formula: C6 H14 N2 O4
• Calculated formula: C6 H14 N2 O4
• SMILES: N1(C(=O)CCC1)CC(=O)N.O.O
• 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: 6.217 ± 0.002 Å
• b: 7.0356 ± 0.0009 Å
• c: 10.0593 ± 0.0013 Å
• α: 84.711 ± 0.012°
• β: 76.83 ± 0.02°
• γ: 75.77 ± 0.02°
• Cell volume: 414.97 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0461
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0588
• Diffraction radiation wavelength: 0.6765 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No