Abstract

The title salt, [Ni(C3H2NS2)(C12H8N2)2]PF6·1.5C4H8O2, was the unexpected product on making an attempt to prepare an [Ni(2-mercapto-thia-zol-ate)(1,10-phenanthroline)]+ complex by reaction of [NiCl2(1,10-phen-an-throline)] with 2-mercapto-thia-zolate. In the resulting complex, the 2-mercapto-thia-zolate anion acts as a chelating ligand, which coordinates to the NiII ion with the thia-zolyl N and thiol-ate S atoms. In the crystal, π-π stacking inter-actions between the coordinating 1,10-phenanthroline mol-ecules of adjacent complexes result in a zigzag chain running parallel to the c axis. Weak C-H⋯X (X = O, F) hydrogen-bonding inter-actions between the chains and 1,4-dioxane solvent mol-ecules and PF6- counter-anions lead to the formation of sheets parallel to the ac plane.

Highlights

  • The 2-mercaptothiazolate anion acts as a chelating ligand, which coordinates to the NiII ion with the thiazolyl N and thiolate S atoms

  • In the crystal, – stacking interactions between the coordinating 1,10-phenanthroline molecules of adjacent complexes result in a zigzag chain running parallel to the c axis

  • Two of them consist of two 2-mercaptobenzothiazole ligands and another bidentate ligand (Ballester et al, 1994; Khan et al, 2010) whereas the third is a tris-2

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Summary

Chemical context

2-Mercaptothiazolate (tzS) has three types of atoms available for coordination, namely the thiazolyl N, the thiazolyl S, and the thiolate S atom. S)] (Raper et al, 1989, 1990a) whereas transition metal complexes with tzS in a bidentate coordination mode are rare (Raper et al, 1989), a number of transition metal complexes with 2-mercaptobenzothiazolate as a bidentate ligand exist (Raper et al, 1990b; Ballester et al, 1994; Khan et al, 2010). These values are very similar to that of related Ni complexes with bidentate 2-mercaptobenzothiazolate ligands (Raper et al, 1990b; Ballester et al, 1994; Khan et al, 2010). N(phen) distances and bite angles are 2.08 Å and 80.2 , which are typical values for Ni–phen complexes (Bouzaid et al., 2012)

Structural commentary
Database survey
Synthesis and crystallization
Full Text
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