Conformation of (-)/(l)-1,3-bis(4,6-dimethyl-1H-nicotinonitril-1-yl)1,3- dithioxypropane stabilized via intra/intermolecular weak interactions

Abstract

In solution state, the stable gauche conformation of 1,3-bis(4,6-dimethyl- 1H-nicotinonitril-1-yl)1,3-dithioxypropane is predicted by CD spectra. Weak interaction present in the molecule makes it flexible, and due to this reason helicity is observed in it. In solid state, the molecular conformation and packing geometry is stabilized via both intra/inter molecular CH•••N, CH•••S and π•••π interactions. © 2011 Springer Science+Business Media, LLC.