Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κ2N1:N2)bis[bis(thiocyanato-κN)zinc]–bis(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN1)bis(thiocyanato-κN)zinc (1/2)

Abstract

In the crystal structure of the title 1:2 adduct, [Zn2(NCS)4(C4H8N4)2]·2[Zn(NCS)2(C4H8N4)2] or (Ia)·2(Ib), each ZnII atom is coordinated in a distorted tetrahedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS− ligands. In (Ia), double N1:N2-bridging admt ligands connect two ZnII atoms, forming a dimer with a Zn2(admt)2 six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N1-coordination modes. Weak N—H...N, N—H...S and C—H...S hydrogen bonds play an important role in the intermolecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57 (3):0.43 (3) and 0.63 (3):0.37 (3), respectively.