Information card for entry 2216027

Structure parameters

• Common name: piperidine derivative
• Chemical name: <i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-<i>t</i>-3-isopropylpiperidin-4-one
• Formula: C20 H21 Cl2 N O
• Calculated formula: C20 H21 Cl2 N O
• SMILES: Clc1ccc([C@@H]2N[C@@H](CC(=O)[C@H]2C(C)C)c2ccc(Cl)cc2)cc1.Clc1ccc([C@H]2N[C@H](CC(=O)[C@@H]2C(C)C)c2ccc(Cl)cc2)cc1
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-<i>t</i>-3-isopropylpiperidin-4-one
• Authors of publication: A. Thiruvalluvar; S. Balamurugan; R. J. Butcher; A. Manimekalai; S. Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4482 - o4482
• a: 17.3013 ± 0.0007 Å
• b: 8.3742 ± 0.0004 Å
• c: 12.3687 ± 0.0005 Å
• α: 90°
• β: 98.647 ± 0.004°
• γ: 90°
• Cell volume: 1771.66 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes