The first coordination complex of (5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine with zinc(II) acetatechloride

The title complex, systematic name catena-poly[[[acetatochloridozinc(II)]-mu-(5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]-pyrimidin-6-amine] monohydrate], {[Zn(C2H3O2)Cl(C15H15N5O)]center dot H2O}(n), is the first coordination complex in which the neutral tetrahydrotriazolopyrimidine derivative acts as bridging ligand between two zinc molecules. As a result, polymeric chains of the coordination complex are found. The coordination of the zinc metal atom occurs with the lone pairs of the triazolo nitrogen atom and amino group. The positive charge of the zinc atom is compensated by the chlorine anion and deprotonated acetic acid. The coordination complex exists as a monohydrate in the crystalline phase. The water molecules bind neighbouring polymeric chains by the formation of O-H center dot center dot center dot O, O-H center dot center dot center dot Cl and N-H center dot center dot center dot O hydrogen bonds.

Automated summary

The coordination complex consists of a neutral tetrahydrotriazolopyrimidine derivative acting as a bridging ligand between two zinc molecules, resulting in polymeric chains. The zinc metal atom coordinates with the nitrogen atom of triazole and amino group, with the positive charge of the zinc atom being compensated by the chlorine anion and deprotonated acetic acid.