Simultaneous cyclisation and coordination of dithizone to the fac- [Re (CO)3]+ core

The reaction of dithizone (H(2)dtz) with an organometallic rhenium(I) precursor; [Re(CO)(5)Cl] in ethanol led to the isolation of the octahedral organometallic fac-[Re(CO)(3)](+) core complex factRe(CO)(3)(Hdtz)(dttz)] (1). The chelating ligand 1,2-diphenyltetrazolethione-5 zwitterion (dttz) in 1 was formed from the double deprotonation and cyclisation of dithizone in ethanol. The cyclisation of H(2)dtz to dttz zwitterion is a good example of the conversion of N,S-donor dithizone to S-donor ligand. Both dithizone anion Hdtz(-) and neutral zwitterion dttz coordinated to the fac-[Re(CO)(3)](+) core in which Hdtz(-) is coordinated as bidentate chelate via thiolate sulfur and azoic nitrogen atoms while dttz coordinated as monodentate ligand via thione sulfur atom. In addition to the synthesis, infra-red, H-1 NMR, electronic properties and X-ray crystal structure of the complex 1 are reported.