Physical image vs. structure relation, 4. Configuration and conformation determination of some bicyclic lactams by H-1 NMR and theoretical methods

Resolution-enhanced H-1 NMR spectra of six single diastereomers of fused-ri ng sulfur-containing lactams have been recorded and interpreted. In joint a nalysis of derived couplings (3)J(HH), performed with use of the Karplus-Co nroy type relationship and results of static MM calculations, it was possib le to determine the configuration of title compounds and the conformation e lucidation of their six-membered rings. Simultaneously, the stereochemistry of the observed ring-closure reaction was determined. The application of T NDO/2 method for the prediction of (n)J(HH) values is also briefly discusse d.