Information card for entry 2240407

Structure parameters

• Chemical name: 2-Chloro-1-(3-ethyl-2,6-diphenylpiperidin-1-yl)ethanone
• Formula: C21 H24 Cl N O
• Calculated formula: C21 H24 Cl N O
• SMILES: C(=O)(CCl)N1[C@H](c2ccccc2)CC[C@H]([C@@H]1c1ccccc1)CC.C(=O)(CCl)N1[C@@H](c2ccccc2)CC[C@@H]([C@H]1c1ccccc1)CC
• Title of publication: Crystal structure of 2-chloro-1-(3-ethyl-2,6-diphenylpiperidin-1-yl)ethanone
• Authors of publication: Shreevidhyaa Suressh, V.; Revathi, B. K.; Abdul Basheer, S.; Ponnuswamy, S.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o122
• a: 8.5971 ± 0.0009 Å
• b: 12.908 ± 0.0013 Å
• c: 17.1114 ± 0.0016 Å
• α: 90°
• β: 100.501 ± 0.005°
• γ: 90°
• Cell volume: 1867.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes