A novel potent non-nucleoside reverse transcriptase inhibitor acylthiocarbamate derivative with extensive intramolecular pi-pi interactions

Acta Crystallogr C. 2006 Jun;62(Pt 6):o315-7. doi: 10.1107/S0108270106013175. Epub 2006 May 16.

Abstract

In the crystal structure of the novel acylthiocarbamate derivative O-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl] N-(4-methylphenyl)-N-(3-nitrobenzoyl)thiocarbamate, C25H19N3O6S, intra- and intermolecular pi-pi interactions occur between the phthalimide and N-benzoyl moieties. The partial atomic charges, calculated by ab initio methods, are consistent with the observed structure.

MeSH terms

  • Crystallography, X-Ray
  • Hydrogen / chemistry
  • Models, Molecular
  • Molecular Structure
  • Nucleosides / chemistry
  • Reverse Transcriptase Inhibitors / chemistry*
  • Thiocarbamates / chemistry*

Substances

  • Nucleosides
  • Reverse Transcriptase Inhibitors
  • Thiocarbamates
  • acylthiocarbamate
  • Hydrogen