Information card for entry 2105492

Structure parameters

• Formula: C8 H14 N2 O2
• Calculated formula: C8 H14 N2 O2
• SMILES: C1CCC(=O)N1C(C(=O)N)CC
• Title of publication: The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam
• Authors of publication: Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 371 - 378
• a: 9.5932 ± 0.0003 Å
• b: 7.8325 ± 0.0003 Å
• c: 11.9547 ± 0.0004 Å
• α: 90°
• β: 103.83 ± 0.003°
• γ: 90°
• Cell volume: 872.22 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0574
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No