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 (C₁₃H₁₂N₄S, 1 ) and 4-benzoylpyridine 4-ethylthiosemicarbazone (C₁₅H₁₆N₄S, 2 ), and of two new coordination compounds, chlorido(3-formylpyridine 4-phenylthiosemicarbazone-κS)bis(triphenylphosphane-κP)copper(I) acetonitrile monosolvate, [CuCl(C₁₃H₁₂N₄S)(C₁₈H₁₅P)₂]·CH₃CN, 3 , and bis(3-formylpyridine 4-ethylthiosemicarbazonato-κ²N¹,S)nickel(II), [Ni(C₉H₁₁N₄S)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°.