Journal of the Chemical Society, Dalton Transactions p. 1812 - 1815 (1980)
Update date:2022-08-16
Topics:
Vegas, Angel
Perez-Salazar, Adela
Banister, Arthur J.
Hey, Richard G.
4-Phenyl-1,2-dithia-3,5-diazolium chloride on reduction with thiocyanate ion gives the black air-sensitive title compound, (PhCN2S2)2.Crystals have been studied by means of X-ray diffraction at room temperature.The compound crystallizes in the space group P212121 (no. 19) with a = 16.061(1), b = 32.984(5), and c = 5.7740(4) Angstroem, and Z = 8.The crystal structure has been solved using 2 513 reflections and refined to a final R value of 0.082.Each asymmetric unit contains two (PhCN2S2)2 molecules.Within each dimer the bridging mean S...S distance is 310.9(5) pm.The two half-molecules within each dimer are nearly parallel and are slightly twisted with respect to each other.The short (mean) CN2S2 ring distances (dCN=133, dSN=162,and dSS=209 pm) and the PhCN2S2 coplanarity suggest that the rings are aromatic with one electron pair delocalized at the four (disulphide) sulphur atoms.
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