Crystal and molecular structure of diiodo-N,N,N?,N?-tetramethylthiuramdisulphidemercury(II)

Abstract

The crystal and molecular structure of diiodo-N,N,N′,N′-tetramethylthiuramdisulphidemercury(II), HgI2(S2CN(CH3)2)2, has been determined by a three-dimensional X-ray analysis. The compound crystallizes in the monoclinic space groupP21/c with the unit cell dimensionsa = 7·957 ± 4,b = 22·639 ± 7,c = 9·956 ± 6 Å and β = 112·14 ± 5 °;Z = 4. Intensities were obtained with an automatic diffractometer. The structural parameters were refined by least-squares methods to a conventionalR factor of 0·044 for 1294 non-zero observed reflexions. The mercury is in distorted tetrahedral coordination with two iodine and two sulphur atoms. The Hg-I distances are 2.654 ± 2 and 2·661 ± 2 Å; the Hg-S distances are 2·651 ± 7 and 2·882 ± 7 Å. The thiuramdisulphide ligand consists of two planar units S2CNC2, nearly perpendicular to each other. Bond distances of the ligand are compared with distances in tetraalkylthiuram disulphide molecules and agree with infrared observations.