Information card for entry 2221779

Structure parameters

• Chemical name: 1-Acryloyl-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-one
• Formula: C22 H21 Cl2 N O2
• Calculated formula: C22 H21 Cl2 N O2
• SMILES: Clc1ccc([C@@H]2N([C@@H]([C@H](C(=O)[C@H]2C)C)c2ccc(Cl)cc2)C(=O)C=C)cc1.Clc1ccc([C@H]2N([C@H]([C@@H](C(=O)[C@@H]2C)C)c2ccc(Cl)cc2)C(=O)C=C)cc1
• Title of publication: 1-Acryloyl-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-one
• Authors of publication: Lakshminarayana, B. N.; Shashidhara Prasad, J.; Gnanendra, C. R.; Sridhar, M. A.; Naik, Nagaraja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1001
• a: 10.241 ± 0.0008 Å
• b: 19.507 ± 0.0011 Å
• c: 10.976 ± 0.0009 Å
• α: 90°
• β: 112.567 ± 0.002°
• γ: 90°
• Cell volume: 2024.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes