Information card for entry 2223135

Structure parameters

• Chemical name: 1-Chloroacetyl-2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one
• Formula: C23 H26 Cl N O4
• Calculated formula: C23 H26 Cl N O4
• SMILES: [C@H]1([C@H](C(=O)[C@H]([C@H](c2ccccc2OC)N1C(=O)CCl)C)C)c1ccccc1OC.[C@@H]1([C@@H](C(=O)[C@@H]([C@@H](c2ccccc2OC)N1C(=O)CCl)C)C)c1ccccc1OC
• Title of publication: 1-Chloroacetyl-2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one
• Authors of publication: Aridoss, G.; Gayathri, D.; Velmurugan, D.; Kim, M. S.; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2276 - o2277
• a: 8.9921 ± 0.0006 Å
• b: 11.3725 ± 0.0008 Å
• c: 11.9373 ± 0.0008 Å
• α: 71.63 ± 0.001°
• β: 68.465 ± 0.001°
• γ: 72.903 ± 0.001°
• Cell volume: 1055.45 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes