Information card for entry 2224148

Structure parameters

• Chemical name: 1-(2-Chloroacetyl)-3-methyl-2,6-diphenylpiperidin-4-one
• Formula: C20 H20 Cl N O2
• Calculated formula: C20 H20 Cl N O2
• SMILES: ClCC(=O)N1[C@H](CC(=O)[C@@H]([C@H]1c1ccccc1)C)c1ccccc1.ClCC(=O)N1[C@H]([C@@H](C(=O)C[C@H]1c1ccccc1)C)c1ccccc1
• Title of publication: 1-(2-Chloroacetyl)-3-methyl-2,6-diphenylpiperidin-4-one
• Authors of publication: Khan, F. Nawaz; Nithya, P.; Krishna Kumar, V.; Hathwar, Venkatesha R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2985
• a: 31.026 ± 0.006 Å
• b: 12.417 ± 0.002 Å
• c: 9.3209 ± 0.0017 Å
• α: 90°
• β: 101.423 ± 0.004°
• γ: 90°
• Cell volume: 3519.7 ± 1.1 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes