X-Ray Crystallographic Studies of (?-4-(Iodophenoxy)- ?-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol)

Abstract

Recently, it has been observed that some of these fungicides   are lossing their effects and becoming resistant to them. Analogous   compounds can be designed as substitute, if their structures   are known. A rational approach to test these fungicides is to know   the three dimensional structure of these compounds and macromolecular   receptor sites as well as their molecular complex. In   present studies, crystal and molecular structure of systemic fungicide   (β-4-(iodophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-   1-ethanol) is carried out. The unit cell parameters were determined   by directly on CAD-4 Enraf Nonius 4-circle automatic diffractometer   in ω-2θ scan mode using Ni-filtered CuK_α λ (1.5418 Å)   radiations. The unit cell parameters are a = 8.136(2) Å, b =   16.762(1) Å, c = 21.979(1) Å, α = 90(1)º, β = 92.54(2)º, γ = 90(2)º.   The space group was determined to be P2₁/n.