Electro-organic synthesis and X-ray crystal structure of the novel complex 2,7-dimethyl-6,8-bis(methylthio)pyrrolo[1,2-a]pyrazinium tri-iodomercurate(II)

Electroreduction of oltipraz (INN), 4-methyl-5-(pyrazin-2-yl)-1,2-dithiole-3-thione and methylation leads to the known metabolite, 6,8-bis(methylthio)-7-methylpyrrolo[1,2-a]pyrazine on a glassy carbon cathode or to the novel mercury(II) title complex on a mercury cathode. The crystal structure of this complex is presented. The complex crystallizes in the triclinic space group P[1 with combining macron] with a= 10.620(2), b= 11.944(2), c= 9.665(2)Å, α= 121.16(1), β= 102.68(1), γ= 95.38(1)°, Z= 2. The structure was solved and refined on the basis of 3 162 significant data, to a final R value of 0.026. The electrochemical behaviour has been investigated by voltammetry.