The interplay of Aryl - Perfluoroaryl stacking interactions and interstack hydrogen bonding in controlling the structure of a molecular cocrystal

Abstract

Stacks of molecules: Structural properties of a 1:1 cocrystal formed between phenol and pentafluorophenol have been investigated by powder neutron diffraction. There are three crystallographically independent stacks which engage in interstack O-H⋯O hydrogen bonds to form a hydrogen-bonded loop involving six OH groups (see picture). The H atom of each OH group is disordered between two positions, corresponding to two different hydrogen-bonding arrangements within the loop.