A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly

A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(π-hole)···Cl-Zn tetrel interaction, that plays a determining role in the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2)2(μ-bptpy)2] crystals. Supramolecular chains are formed through C-H···X interactions. The observed interactions are supported by DFT calculations using model dimers.