Synthesis, crystal structure, Hirshfeld surface analysis and energy framework calculations of trans-3,7,9,9-tetra­methyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octa­hydro­acridine

2021 
The title heterocyclic compound, C20H27N, has been prepared in good yield (72%) via a BiCl3-catalyzed cationic Povarov reaction between N-propargyl-4-methyl­aniline and (±)-citronellal. The X-ray single-crystal study indicates that the structure consists of mol­ecules connected by C—H⋯π contacts to produce chains, which pack in a sandwich–herringbone fashion along the b-axis direction. Hirshfeld surface analysis indicates that H⋯H inter­actions dominate by contributing 79.1% to the total surface. Energy frameworks and DFT calculations indicate a major contribution of dispersive forces to the total inter­action energy.
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