Information card for entry 2203161

Structure parameters

• Common name: 2-[hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one
• Chemical name: 2-[hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one
• Formula: C11 H11 N O2
• Calculated formula: C11 H11 N O2
• SMILES: O[C@H](c1ncccc1)C1=CCCC1=O
• Title of publication: 2-[Hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one: the Baylis–Hillman adduct of 2-pyridinecarboxaldehyde and 2-cyclopenten-1-one
• Authors of publication: Huo, Fangjun; Yin, Caixia; Guo, Wei; Xia, Chizhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o204 - o206
• a: 8.427 ± 0.002 Å
• b: 10.2 ± 0.002 Å
• c: 11.163 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 959.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes