Determination of Structural Perturbation in Fungicide Derivative Compounds: A X-Ray Crystallographic Study

Chemical is useful for the synthesis of new compounds with more specific actions and fewer adverse reactions, to increase/decrease the duration of action of the original drug or to get a more potent compound, to restrict the action to a specific system of the body and to reduce the adverse reactions, toxicity and other disadvantages associated. Some of the fungicides have recently been seen to lose their effectiveness and develop resistance to them. If the structures of analogous chemicals are understood, substitutes can be created. A rational approach to test these fungicides is to know the three dimensional structure of these compounds and macro- molecular receptor sites as well as their molecular complex. X-Ray crystallographic techniques were used to determine the structural disruption in fungicide derivatives and compare the outcome of their molecular connection with other receptor locations. In present studies, crystal and molecular structure of systemic fungi- cide ( -4-(iodophenoxy)- -(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 diffracto- meter in scan mode using Ni-filtered CuK (1.5418 Å) radiations. The unit cell parameters are a = 8.136(2) Å, b = 16.762(1) Å, c = 21.979(1) Å, = 90(1)º, = 92.54(2)º, = 90(2)º. The space group was determined to be P21/n.