CRYSTAL AND MOLECULAR-STRUCTURE OF DIMETHYL 4-PHENYL-S-METHYLISOTHIOSEMICARBAZIDE DIACETATE AND ITS COMPLEX WITH COPPER(II) BROMIDE

The structure of dimethyl 4-phenyl-S-methylisothiosemicarbazide diacet ate NH(C6H5)C(SCH3)NNx (CH2COOCH3)(2) (Z) hydroiodide (I) (crystals I are triclinic, space group P (1) over bar, a = 11.671(3), b = 10.889(2 ), c = 8.237(2)Angstrom alpha = 78.59(2), beta = 77.63(2), gamma = 106 .47(2)degrees, Z = 2 final R = 0.088) and a complex of Z with copper(I I) bromide, CuBr(2)Z (II) (crystals II are orthorhombic, space group P bca, a = 14.487(4), b = 18.827(8), c = 14.565(5) Angstrom, Z = 8 R = 0 .062) was determined by X-ray diffraction analysis. It is established that methylation of the sulfur atom changes the type of ligand attachm ent to the metal, namely, the ligand is transformed from the tripod S, N,O,O into the N,N,O,O type (the sulfur atom is not involved in coordi nation). When coordinated, the ligand does not change conformation, an d the thiosemicarbazide fragment retains the E-configuration. During c omplexation, Z topologically behaves as a classical complexon of the m onoamine series.