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

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

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...

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Bibliographic Details
Main Authors: Mauricio Acelas, Analio Dugarte-Dugarte, Arnold R. Romero Bohórquez, José Antonio Henao, José Miguel Delgado, Graciela Díaz de Delgado
Format: Article
Language:English
Published: International Union of Crystallography 2021-03-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
octahydroacridine
povarov reaction
hirshfeld surface
energy frameworks
dft calculations
spectroscopic characterization
crystal structure
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989021001183

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http://scripts.iucr.org/cgi-bin/paper?S2056989021001183

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