Abstract

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 ≤ x ≤ 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 ¹H–¹³C 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).