X-Ray Crystallographic Studies of Contact Fungicide Cholothalonil

Abstract

Chlorothalonil (2,4,5,6-tetrachloroisophthalonitrile) is a polychlorinated aromatic mainly used as a broad spectrum, contact fungicide. 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 .The structures of these compounds can be obtained by X-ray diffraction method in crystalline form and they will invariably be similar to their structure in solutions. The activity of fungicides is intimately related to its chemical structure. Knowledge about the chemical structure of a 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. We can understand the basic chemical groups responsible for drug action. Recently it has been observed that some of the fungicides are losing their effects. So analogous compounds can be designed as substitute, if their structures are known

Index Terms— Fungicide, ORTEP, Thermal ellipsoid