Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(penta-fluoro-λ6-sulfan-yl)benzo-nitrile.

ABSTRACT: The title compound, C7H3F5INS, a penta-fluoro-sulfanyl (SF5) containing arene, was synthesized from 4-(penta-fluoro-sulfan-yl)benzo-nitrile and lithium tetra-methyl-piperidide following a variation to the standard approach, which features simple and mild conditions that allow direct access to tri-substituted SF5 inter-mediates that have not been demonstrated using previous methods. The mol-ecule displays a planar geometry with the benzene ring in the same plane as its three substituents. It lies on a mirror plane perpendicular to [010] with the iodo, cyano, and the sulfur and axial fluorine atoms of the penta-fluoro-sulfanyl substituent in the plane of the mol-ecule. The equatorial F atoms have symmetry-related counterparts generated by the mirror plane. The penta-fluoro-sulfanyl group exh

SUBMITTER: Gonzalez Espiet JC 

PROVIDER: S-EPMC7001822 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature