Synthesis and crystal structure of a new sulfur-palladium-nitrogen complex

The reaction of 4-amino-6-methyl-1,2,4-triazine-3(2H)-thione-5-one (AMTTO, 1) with palladium(II) chloride in acetonitrile/methanol leads to the N,S-co ordinated complex [Pd(eta(2)-AMTTO-N,S)Cl-2]. CH3OH (2). 2 has been charact erized by IR and MS techniques. The ligand 1 and the complex 2 were also in vestigated by X-ray structure determinations. 1 crystallizes in the space g roup PI with the lattice dimensions at -70 degrees C: a = 419.6(1), b = 598 .2(1), c = 1351.3(1) pm, alpha = 92.23(1), beta = 91.20(1), gamma = 100.51( 1)degrees, Z = 2, R-1 = 0.0441. 2 crystallizes in the space group P2(1)/c w ith the lattice dimensions at 20 degrees C: a = 683.3(1), b = 1323.0(1), c = 1254.2(1) pm, beta = 92.61(1)degrees, Z = 4, R-1 = 0.0361. According to t he structure analysis I consists of planar C,N-heterocycles connected by hy drogen bridges forming an infinite chain along [110]. The basic heterocycli c skeleton of 2 is essentially planar and linked three-dimensionally throug h hydrogen bridges.