The role of functional nitro and cyano groups in the self-assembly of 1,3-dithiole-2-thione-halogen adducts

Peter Skabara, Alexander Kanibolotsky, Simon Render, Rory Berridge, David J. Crouch, Neil Bricklebank, Simon J. Coles, Thomas Gelbrich, M. B. Hursthouse

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The synthesis of five new dihalogen/interhalogen charge transfer adducts featuring cyano and nitro functionalized 1,3-dithiole-2-thiones have been prepared and characterized by x-ray crystallography. The structures feature a complex series of intermolecular close contacts between heteroatoms, as well as hydrogen bonding, to give highly ordered, polymeric assemblies. The adduct 4.IBr crystallizes in a noncentrosymmetric chiral space group and features a stack of molecules assembled through hydrogen bonds. The functional groups of all adducts participate in networks of close contacts, but do not affect the coordination environment of the dihalogen/interhalogen species.
Original languageUndefined/Unknown
Pages (from-to)176-184
Number of pages9
JournalHeteroatom Chemistry
Issue number2
Publication statusPublished - 2007


  • cyano groups
  • nitro groups
  • halogen adducts
  • crystallography

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