Experimental and theoretical structural study of 2-pyridyl- and 4-hydroxyphenyl-1,4-dihydropyridine derivatives

A series of substituted 1,4-dihydropyridines (1,4-DHPs) has been synthesised following the well-known Hantzsch's procedure for symmetrical 1,4-DHP. The structures of these compounds have been thoroughly studied by X-ray crystallographic analysis and semiempirical (AMI) calculations. A good agreement is found between the theoretical and experimental results. In all cases, the most stable conformation fulfils all the requirements needed for exhibiting an antagonist calcium effect.