"Conformational lock": Via unusual intramolecular C-F⋯OC and C-H⋯Cl-C parallel dipoles observed in in situ cryocrystallized liquids

Abstract

We report an unusual intramolecular C-F⋯OC and C-H⋯Cl-C parallel dipole-dipole alignment which "locks" the molecular conformation of cryocrystallized liquids towards planarity where the diatropic ring current establishes the existence of aromaticity in the five-membered ring associated with F⋯O contact. Topological analysis establishes the bonding interaction between [F, O] and [H, Cl].