Information card for entry 2244008

Structure parameters

• Common name: <i>N</i>-Acetyl-<i>t</i>-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine
• Chemical name: 1-(3-Methyl-2,6-diphenylpiperidin-1-yl)ethanone
• Formula: C20 H23 N O
• Calculated formula: C20 H23 N O
• SMILES: [C@@H]1(CC[C@@H]([C@@H](c2ccccc2)N1C(=O)C)C)c1ccccc1
• Title of publication: Crystal structure, DFT and Hirshfeld surface analysis of <i>N</i>-acetyl-<i>t</i>-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine
• Authors of publication: Periyannan, P.; Beemarao, M.; Karthik, K .; Ponnuswamy, S.; Ravichandran, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 2
• a: 8.3063 ± 0.0004 Å
• b: 7.5842 ± 0.0004 Å
• c: 13.841 ± 0.0007 Å
• α: 90°
• β: 104.174 ± 0.002°
• γ: 90°
• Cell volume: 845.39 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes