Information card for entry 2222558

Structure parameters

• Chemical name: 1-Chloroacetyl-2,6-bis(3-fluorophenyl)piperidin-4-one
• Formula: C19 H16 Cl F2 N O2
• Calculated formula: C19 H16 Cl F2 N O2
• SMILES: [C@H]1(CC(=O)C[C@H](c2cc(ccc2)F)N1C(=O)CCl)c1cc(ccc1)F
• Title of publication: 1-Chloroacetyl-2,6-bis(3-fluorophenyl)piperidin-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: 8
• Pages of publication: o1994 - o1995
• a: 10.7026 ± 0.0008 Å
• b: 8.2017 ± 0.0006 Å
• c: 19.0447 ± 0.0015 Å
• α: 90°
• β: 100.629 ± 0.001°
• γ: 90°
• Cell volume: 1643.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes