Information card for entry 2100319

Structure parameters

• Formula: C6 H10 N2 O2
• Calculated formula: C6 H10 N2 O2
• SMILES: NC(=O)CN1CCCC1=O
• Title of publication: Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam
• Authors of publication: Nowell, Harriott; Price, Sarah L.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: 558 - 568
• a: 6.4113 Å
• b: 12.8292 Å
• c: 8.9624 Å
• α: 90°
• β: 71.1273°
• γ: 90°
• Cell volume: 697.543 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Method of determination: theoretical
• Duplicate of: 2100174
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No