4-amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one: hydrogen-bonded chains are pi-stacked in pairs

J N Low, J Cobo, S Cruz, J Quiroga, C Glidewell

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O-H...O and N-H...O types. The molecules are linked into C(6) chains by an intermolecular N-H...O hydrogen bond, and pairs of these hydrogen-bonded chains are linked by a pi-pi stacking interaction.

Original languageEnglish
Number of pages3
JournalActa Crystallographica Section C-Crystal Structure Communications
Publication statusPublished - Mar 2004


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