Information card for entry 2220184

Structure parameters

• Common name: piperidin-4-one
• Chemical name: r-2,c-6-Bis(4-chlorophenyl)-c-3,t-3-dimethylpiperidin-4-one
• Formula: C19 H19 Cl2 N O
• Calculated formula: C19 H19 Cl2 N O
• SMILES: Clc1ccc([C@H]2N[C@H](CC(=O)C2(C)C)c2ccc(Cl)cc2)cc1.Clc1ccc([C@@H]2N[C@@H](CC(=O)C2(C)C)c2ccc(Cl)cc2)cc1
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-<i>c</i>-3,<i>t</i>-3-dimethylpiperidin-4-one
• Authors of publication: Ilango, S. S.; Ponnuswamy, S.; Gayathri, P.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2312
• a: 13.1627 ± 0.0005 Å
• b: 22.4739 ± 0.0007 Å
• c: 5.8794 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1739.23 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes