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The supramolecular assemblies of N-phthalimide protected (E)- and (Z)-4-amino-2-butenyl 5-substituted pyrimidine derivatives: from dimers to two-dimensional and three-dimensional networks

The supramolecular structures of three (E)-N-phthalimide protected 4-amino-2-butenyl 5-substituted pyrimidine derivatives, uracil derivative (1), 5-fluorouracil derivative (2) and 5-(trifluoromethyl)uracil derivative (3) were analyzed in order to understand how variations in their molecular structure influence on their supramolecular aggregation. The structure of 5-fluorouracil derivative (2) is compared also with its (Z)-isomer (4). The molecules of 1-3 are assembled by self-complementary N H• • • O hydrogen bond into centrosymmetric dimmers. Compound 4 crystallized with two independent molecules in the asymmetric unit that are linked also by two N H• • • O hydrogen bonds into dimmers. In supramolecular assembling of 1-4 C H• • • O hydrogen bonds participate also, while supramolecular structures of 2, 3 and 4 additionally contain C H• • • F interactions. The C H• • • O hydrogen bonds in 1, and C H• • • O hydrogen bonds and C H• • • F interactions in 3 and 4 complete three-dimensional network. The structure of 2 is built of dimmers that generate two-dimensional network.

supramolecular assemblies; pyrimidine derivatives

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