Finding the Perfect Match: Halogen vs Hydrogen Bonding

The prediction of supramolecular
structures involving different
weak interactions is challenging. In this study, single-atom modifications
to the molecular structure allow us to address their hierarchy. The
resulting series of unimolecular assemblies are mainly based on halogen
bonding (XB), hydrogen bonding (HB), or a combination of both. By
varying the XB donor (F, Cl, Br, and I) and the XB and HB acceptors
(pyridine vs pyridine-N-oxide) we can control the
primary motifs directing the structure.