Information card for entry 7100392

Structure parameters

• Formula: C4 H7 N O
• Calculated formula: C4 H7 N O
• SMILES: O=C(N)C(=C)C
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.3652 ± 0.0017 Å
• b: 6.0863 ± 0.0015 Å
• c: 9.743 ± 0.003 Å
• α: 90°
• β: 115.3 ± 0.02°
• γ: 90°
• Cell volume: 502.1 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No