Information card for entry 2212078

Structure parameters

• Chemical name: 3-Amino-2-cyclopent-2-en-1-one
• Formula: C5 H7 N O
• Calculated formula: C5 H7 N O
• SMILES: O=C1C=C(N)CC1
• Title of publication: 3-Aminocyclopent-2-en-1-one
• Authors of publication: Butcher, Ray J.; Hijji, Yousef M.; Benjamin, Ellis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o610 - o612
• a: 5.6444 ± 0.0017 Å
• b: 12.085 ± 0.004 Å
• c: 7.356 ± 0.002 Å
• α: 90°
• β: 102.026 ± 0.004°
• γ: 90°
• Cell volume: 490.8 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes