Information card for entry 2100313

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: 6.4454 Å
• b: 6.465 Å
• c: 8.3971 Å
• α: 85.224°
• β: 98.6303°
• γ: 89.3018°
• Cell volume: 344.632 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Method of determination: theoretical
• Duplicate of: 2100168
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No