Information card for entry 2019808

Structure parameters

• Chemical name: 2-Chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone
• Formula: C20 H22 Cl N O
• Calculated formula: C20 H22 Cl N O
• SMILES: c1c([C@@H]2CC[C@@H](C)[C@H](c3ccccc3)N2C(=O)CCl)cccc1.c1c([C@H]2CC[C@H](C)[C@@H](c3ccccc3)N2C(=O)CCl)cccc1
• Title of publication: Crystal structure of 2-chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone
• Authors of publication: Shreevidhyaa Suressh, V.; Prathebha, K.; Abdul Basheer, S.; Ponnuswamy, S.; Usha, G.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o135
• a: 8.7146 ± 0.0003 Å
• b: 12.3963 ± 0.0004 Å
• c: 16.6117 ± 0.0006 Å
• α: 90°
• β: 101.523 ± 0.002°
• γ: 90°
• Cell volume: 1758.37 ± 0.11 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: 0.072
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes