Structural characterization of imazalil/beta-cyclodextrin inclusion complex

An equimolar inclusion complex between imazalil, a selected fungicide, and beta-cyclodextrin using an aqueous standard solution procedure has been obtained. The complex has been investigated in solution by H-1 and C-13 NMR techniques in combination with computational methods in order to establish a valuable analytical protocol through which to gain insight into the interactions of the inclusion complex in aqueous solution. Intramolecular NMR distance constraints have been detected and used for three-dimensional complex structure determination.