Information card for entry 2227176

Structure parameters

• Chemical name: 2,3-Dihydro-1<i>H</i>-pyrrolizin-1-one
• Formula: C7 H7 N O
• Calculated formula: C7 H7 N O
• SMILES: O=C1CCn2c1ccc2
• Title of publication: 2,3-Dihydro-1<i>H</i>-pyrrolizin-1-one
• Authors of publication: Ali, Yousaf; Peng, Yu; Hua, Erbing; Anwar, Mohammad Aijaz; Kalhoro, Mehboob Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2612
• a: 11.301 ± 0.001 Å
• b: 7.173 ± 0.0007 Å
• c: 14.376 ± 0.0016 Å
• α: 90°
• β: 90.989 ± 0.005°
• γ: 90°
• Cell volume: 1165.2 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes