Information card for entry 2238558

Structure parameters

• Chemical name: 2-Chloro-1-(3,3-dimethyl-2,6-diphenylpiperidin-1-yl)ethanone
• Formula: C21 H24 Cl N O
• Calculated formula: C21 H24 Cl N O
• SMILES: c1ccccc1[C@@H]1CCC(C)(C)[C@H](c2ccccc2)N1C(=O)CCl.c1ccccc1[C@H]1CCC(C)(C)[C@@H](c2ccccc2)N1C(=O)CCl
• Title of publication: 2-Chloro-1-(3,3-dimethyl-2,6-diphenylpiperidin-1-yl)ethanone
• Authors of publication: Prathebha, K.; Revathi, B. K.; Usha, G.; Ponnuswamy, S.; Abdul Basheer, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1424
• a: 7.5488 ± 0.0006 Å
• b: 9.9706 ± 0.0007 Å
• c: 12.9887 ± 0.001 Å
• α: 106.783 ± 0.004°
• β: 93.022 ± 0.004°
• γ: 102.347 ± 0.004°
• Cell volume: 907.45 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes