Information card for entry 7212399

Structure parameters

• Common name: 6-(2-hydroxyphenyl)-2,2-dimethypiperidim-4-one
• Formula: C13 H17 N O2
• Calculated formula: C13 H17 N O2
• SMILES: O=C1CC(NC(C1)(C)C)c1c(O)cccc1
• Title of publication: Highly efficient chemoselective construction of 2,2-dimethyl-6-substituted 4-piperidones via multi-component tandem Mannich reaction in ionic liquids
• Authors of publication: Feng, Li-Chun; Sun, Ya-Wei; Tang, Wei-Jun; Xu, Li-Jin; Lam, Kim-Lung; Zhou, Zhongyuan; Chan, Albert S. C.
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 949
• a: 5.7313 ± 0.0007 Å
• b: 11.8701 ± 0.0014 Å
• c: 18.407 ± 0.002 Å
• α: 72.324 ± 0.002°
• β: 85.809 ± 0.002°
• γ: 79.963 ± 0.002°
• Cell volume: 1174.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No