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Journal of Structural Chemistry

2009 year, number 4


A. M. Banaru, Y. L. Slovokhotov
Keywords: Cambridge Structural Databank, hydrogen bond, ПЂ-delocalization, carbonyl group, molecular chain
Pages: 761-766


For H bonds stabilized by π-conjugation in carbonylated 1,4-dihydropyridines, an analysis of the structural data of the Cambridge Structural Databank showed that the hydrogen bond was an essential condition for π-conjugation. It was found that π-delocalization possibly correlated with the bioactivity of drugs that were calcium antagonists. In the presence of two carbonyl groups, hydrogen bonds in crystal are predominantly formed by the carbonyl group that is anti-periplanar to the 1,4-dihydropyridine ring.