Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds.

In this investigation, the crystal structures of the thio-ligands 3-formylpyridine 4-phenylthiosemicarbazone (C 13 H 12 N 4 S, 1) and 4-benzoylpyridine 4-ethylthiosemicarbazone (C 15 H 16 N 4 S, 2), and of two new coordination compounds, chlorido(3-formylpyridine 4-phenylthiosemicarbazone-κS)bis(triphenylphosphane-κP)copper(I) acetonitrile monosolvate, [CuCl(C 13 H 12 N 4 S)(C 18 H 15 P) 2 ]·CH 3 CN, 3, and bis(3-formylpyridine 4-ethylthiosemicarbazonato-κ 2 N 1 ,S)nickel(II), [Ni(C 9 H 11 N 4 S) 2 ], 4, are reported. In complex 3, the thio-ligand coordinates in a neutral form to the Cu atom through its S-donor atom, and in complex 4, the anionic thio-ligand chelates to the Ni atom through N- and S-donor atoms. The geometry of complex 3 is distorted tetrahedral [bond angles 99.70 (5)-123.23 (5)°], with the P-Cu-P bond angle being the largest, while that of complex 4 is square planar, with trans-S-Ni-S and N-Ni-N bond angles of 180°.