SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF 1-ACETYL-5-(2-METHYLPROPYL)-2-THIOXO-IMIDAZOLIDIN-4-ONE
Journal Title: Periódico Tchê Química - Year 2017, Vol 14, Issue 27
Abstract
The hydantoin and thiohydantoinheterocycles are present in a wide range of biologically active compounds including therapeutic drugs for the treatment of seizures and anti-tumor compounds. Thiohydantoins, have also been used as anti-convulsant agents and are present in fungicides, herbicides and natural products. However, the principal current interest comes from the application of thiohydantoins for the treatment of prostate cancers.Structural characterization of hydantoin and thiohydantoin are important to comprehend their effect mechanisms because of their considerable biological effects. In this work athiohydantoin derivative, 1-acetyl-5-(2-methylpropyl)-2-thioxo-imidazolidin-4-one (I), has been obtained by the reaction of 2-amino-4-methylpentanoic acid with KSCN in acetic anhydride-acetic acid mixture. The heterocyclic compound was characterized by FTIR, NMR, powder and single-crystal X-ray diffraction analysis. This compound crystallizes in the triclinic system, space group P-1 (Nº2), Z=4, with two independent molecules in the unit asymmetric. The thiohydantoin (I) formsone-dimensional hydrogenbondedchains, via a single hydrogenbondbetweenthecarbonyloxygensandtheaminering N3 position, thatrunalong [100] direction, withgraph-set motif C(6). The nature of intermolecular interactions has been analyzed through Hirshfeld surfaces and 2D fingerprint plots.
Authors and Affiliations
Gerzon E. DELGADO
Keywords
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