Tautomerism in coordinated 1-phenyl-5-thione-1,2,3,4-tetrazole (HL) - Synthesis and crystal structure of [SnMe(2)(phen)L(2)] (phen equals 1,10-phenanthroline)

The compound [SnMe(2)(phen)L(2)] (phen = 1,10-phenanthroline) was prepared by reaction of a mixture of 1-phenyl-5-thione-1,2,3,4-tetrazole, phen and SnMe(2)O in 2:1:1 mole ratio in refluxing methanol. The structure of the complex was determined by X-ray diffraction. The unit cell contains two independent molecules. In one, the tin atom is coordinated to the methyl groups, to a bidentate phen and to two N(LF)-bound L(-), one of which also forms an additional Sn ... S secondary bond. In the other independent molecule, the metal atom is coordinated to the methyl groups, to a bidentate phen and to one N- and one S-bound L(-) which also forms an additional Sn ... N secondary bond. Thus the two independent molecules are formally linkage isomers. The IR spectrum was recorded and a multinuclear NMR study was carried out.