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Updated: Oct 4, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Crystal structure, DFT and Hirshfeld surface analysis of N-acetyl-t-3-methyl-r-2,c-6-di-phenyl-piperidine
P Periyannan1, M Beemarao1, K Karthik2
1Department of Physics, Kandaswami Kandar's College, Velur, Namakkal 638 182, India.
Abstract:
In the title compound [systematic name: 1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone], C20H23NO, the piperidine ring adopts a distorted boat conformation, while the phenyl rings subtend a dihedral angle 65.1 (2)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into chains extending along the b-axis direction. The DFT/B3LYP/6-311 G(d,p) method was used to determine the HOMO-LUMO energy levels. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions, indicating that the important contributions to the crystal packing are from H⋯H (73.2%), C⋯H (18.4%) and O⋯H (8.4%) inter-actions.
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