Search results for "π-stacking"
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Experimental and theoretical insights in the alkene-arene intramolecular π-stacking interaction
2016
Chiral acrylic esters derived from biomass were developed as models to have a better insight in the aryl-vinyl π-stacking interactions. Quantum chemical calculations, NMR studies and experimental evidences demonstrated the presence of equilibriums of at least four different conformations: π-stacked and face-to-edge, each of them in an s-cis/s-trans conformation. The results show that the stabilization produced by the π-π interaction makes the π-stacked conformation predominant in solution and this stabilization is slightly affected by the electron density of the aromatic counterpart. Fil: Corne, Valeria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológi…
Crystal structures of 4-chloro-pyridine-2-carbo-nitrile and 6-chloro-pyridine-2-carbo-nitrile exhibit different inter-molecular π-stacking, C-H⋯Nnitr…
2015
The crystal structures of two chlorocyanopyridines, namely 4-chloropyridine-2-carbonitrile and 6-chloropyridine-2-carbonitrile, exhibit unique intermolecular C—H⋯Nnitrile, C—H⋯Npyridine and offset face-to-face π-stacking interactions.