Bis(μ-3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN:N)bis-[bis-(thio-cyanato-κN)zinc]-bis-(3,5-dimethyl-4H-1,2,4-triazol-4-amine-κN)bis-(thio-cyanato-κN)zinc (1/2).
2011
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 N 1:N 2-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 N 1-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.
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