Information card for entry 2228518

Structure parameters

• Chemical name: 1-Acetyl-2-r,6-c-bis(4-chlorophenyl)-3-methyl-1,2,5,6-tetrahydropyridin-4-yl acetate
• Formula: C22 H21 Cl2 N O3
• Calculated formula: C22 H21 Cl2 N O3
• SMILES: Clc1ccc([C@@H]2N(C(=O)C)[C@@H](CC(=C2C)OC(=O)C)c2ccc(Cl)cc2)cc1.Clc1ccc([C@H]2N(C(=O)C)[C@H](CC(=C2C)OC(=O)C)c2ccc(Cl)cc2)cc1
• Title of publication: 1-Acetyl-2-<i>r</i>,6-<i>c</i>-bis(4-chlorophenyl)-3-methyl-1,2,5,6-tetrahydropyridin-4-yl acetate
• Authors of publication: Vimalraj, V.; Pandiarajan, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3259
• a: 16.56 ± 0.003 Å
• b: 14.809 ± 0.003 Å
• c: 10.241 ± 0.002 Å
• α: 90°
• β: 124.27 ± 0.03°
• γ: 90°
• Cell volume: 2075.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes