Information card for entry 2233485

Structure parameters

• Chemical name: 2,6-Bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime
• Formula: C26 H26 Cl2 N2 O
• Calculated formula: C26 H26 Cl2 N2 O
• SMILES: [C@H]1([C@H](C(=N\OCc2ccccc2)\C[C@H](c2ccc(cc2)Cl)N1C)C)c1ccc(cc1)Cl.[C@@H]1([C@@H](C(=N\OCc2ccccc2)\C[C@@H](c2ccc(cc2)Cl)N1C)C)c1ccc(cc1)Cl
• Title of publication: 2,6-Bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime
• Authors of publication: Park, Dong Ho; Ramkumar, V.; Parthiban, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o525
• a: 7.6461 ± 0.0002 Å
• b: 18.5051 ± 0.0005 Å
• c: 16.7172 ± 0.0005 Å
• α: 90°
• β: 91.13 ± 0.001°
• γ: 90°
• Cell volume: 2364.89 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1157
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes