M. O. Dekaprilevich, D. Yufit, Y. Struchkov
Feb 1, 1991
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Journal
Bulletin of the Academy of Sciences of the USSR, Division of chemical science
Abstract
X-ray structural analyses have been carried out for 3-aceto-5-cyano-6-dimethyl-aminohexa-3, 5-dien-2-one (I) and Z-7-dimethylamino-2-aceto-4-methylhepta-2,4,6-trienecarboxylic acid methyl ester (II). Introduction of an electron-withdrawing CN-group in the middle of the polyene chain in molecule (I) has been shown to reduce the degree of double bond delocalization. CNDO/2 calculations have also been performed for compound (I) and the resulting atomic charge distribution data are discussed.