Modification of the solid-state structure of bis(1-hydroxy-2(1H)-pyridinethiolato-S2,O)zinc(II):: synthesis and characterisation of a molecular solid solution incorporating 3-hydroxy-4-methyl-2(3H) thiazolethione

A molecular solid solution incorporating hydrated divalent zinc complexes of the fungicidal materials 1-hydroxy-2(1H)-pyridinethione (pyrithione, HPT) and 3-hydroxy-4-methyl-2(3H)-thiazolethione (methylthiazolethione, HMTT) has been synthesised over the composition range Zn(PT)(x)(MTT)(2-x)(H2O), 1 less than or equal to x less than or equal to 2. The material has been characterised by single-crystal X-ray diffraction, but extensive crystallographic disorder prohibits unambiguous identification of the molecular species present in the crystal. This ambiguity may be resolved by consideration of the identity of the material following dehydration, as probed by high-temperature powder X-ray diffraction and solid-state H-1-C-13 CP/MAS NMR. These techniques suggest that the material consists of a solid solution of Zn(PT)(2)(H2O) in an orientationally-disordered lattice of Zn(PT)(MTT)(H2O).