Information card for entry 2238319

Structure parameters

• Chemical name: 1-Dichloroacetyl-<i>t</i>-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C22 H23 Cl2 N O2
• Calculated formula: C22 H23 Cl2 N O2
• SMILES: [C@@H]1([C@@H](C(=O)C[C@@H](c2ccccc2)N1C(=O)C(Cl)Cl)C(C)C)c1ccccc1.[C@H]1([C@H](C(=O)C[C@H](c2ccccc2)N1C(=O)C(Cl)Cl)C(C)C)c1ccccc1
• Title of publication: 1-Dichloroacetyl-<i>t</i>-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Authors of publication: Sugumar, P.; Kayalvizhi, R.; Mini, R.; Ponnuswamy, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1348
• a: 18.4336 ± 0.0014 Å
• b: 9.4516 ± 0.0007 Å
• c: 11.7077 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2039.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes