Information card for entry 2226725

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-Furylmethylidene)-2,3-dihydro-1<i>H</i>-pyrrolizin-1-one
• Formula: C12 H9 N O2
• Calculated formula: C12 H9 N O2
• SMILES: O=C1c2n(ccc2)C/C1=C\c1occc1
• Title of publication: (<i>E</i>)-2-(2-Furylmethylidene)-2,3-dihydro-1<i>H</i>-pyrrolizin-1-one
• Authors of publication: Ali, Yousaf; Yu, Peng; Hua, Erbing; Rui, Guo; Qi, Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1578
• a: 11.817 ± 0.0016 Å
• b: 6.1242 ± 0.0006 Å
• c: 14.432 ± 0.002 Å
• α: 90°
• β: 113.157 ± 0.003°
• γ: 90°
• Cell volume: 960.3 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes