Information card for entry 2224896

Structure parameters

• Chemical name: 1-Chloroacetyl-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C22 H24 Cl N O2
• Calculated formula: C22 H24 Cl N O2
• SMILES: ClCC(=O)N1[C@@H](CC(=O)[C@H]([C@@H]1c1ccccc1)C(C)C)c1ccccc1.ClCC(=O)N1[C@H](CC(=O)[C@@H]([C@H]1c1ccccc1)C(C)C)c1ccccc1
• Title of publication: 1-Chloroacetyl-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Authors of publication: Ravichandran, K.; Ramesh, P.; Jeganathan, P.; Ponnuswamy, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o276 - o277
• a: 10.3415 ± 0.0012 Å
• b: 9.0243 ± 0.0009 Å
• c: 21.438 ± 0.002 Å
• α: 90°
• β: 90.894 ± 0.003°
• γ: 90°
• Cell volume: 2000.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes