Analysis of the contribution of the pi-acidity of the s-tetrazine ring in the crystal packing of coordination polymers

Reaction of manganese(II) with the electron-deficient ligand 3,6-bis(4-pyridyl)-1,2,4,5-tetrazine (pbptz) leads to distinct coordination networks whose topologies are influenced by the nature of the anions used. As anticipated, the linear ditopic ligand pbptz is involved in various types of supramolecular pi interactions, i.e. pi center dot center dot center dot pi, lone pair center dot center dot center dot pi and C-H center dot center dot center dot pi interactions, which clearly play a role in the formation of the different solid-state architectures obtained, as shown by DFT calculations.