Information card for entry 2226051

Structure parameters

• Chemical name: 1-chloroacetyl-2,6-bis(2-chlorophenyl)-3,5-dimethyl-piperidin-4-one oxime
• Formula: C21 H21 Cl3 N2 O2
• Calculated formula: C21 H21 Cl3 N2 O2
• SMILES: ClCC(=O)N1[C@@H]([C@H](C(=N\O)/[C@H]([C@@H]1c1c(Cl)cccc1)C)C)c1c(Cl)cccc1.ClCC(=O)N1[C@H]([C@@H](C(=N\O)/[C@@H]([C@H]1c1c(Cl)cccc1)C)C)c1c(Cl)cccc1
• Title of publication: 1-Chloroacetyl-2,6-bis(2-chlorophenyl)-3,5-dimethylpiperidin-4-one oxime
• Authors of publication: Ravichandran, K.; Ramesh, P.; Rani, M.; Kabilan, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1506
• a: 9.8147 ± 0.0006 Å
• b: 15.5929 ± 0.0011 Å
• c: 13.9498 ± 0.0009 Å
• α: 90°
• β: 93.529 ± 0.004°
• γ: 90°
• Cell volume: 2130.8 ± 0.2 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: 0.0368
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes