Information card for entry 2237597

Structure parameters

• Common name: N-Dichloroacetyl-t-3,t-5-dimethyl-r-2,c-6-diphenylpiperidin-4-one
• Chemical name: 1-Dichloroacetyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C21 H21 Cl2 N O2
• Calculated formula: C21 H21 Cl2 N O2
• SMILES: [C@H]1([C@H](C(=O)[C@H]([C@H](c2ccccc2)N1C(=O)C(Cl)Cl)C)C)c1ccccc1
• Title of publication: 1-Dichloroacetyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<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: 4
• Pages of publication: o609
• a: 8.278 ± 0.002 Å
• b: 9.714 ± 0.003 Å
• c: 11.847 ± 0.003 Å
• α: 90°
• β: 90.578 ± 0.009°
• γ: 90°
• Cell volume: 952.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0878
• 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