Abstract

The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations.

Highlights

  • The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]2CH3OH}n, consists of one cadmium(II) cation that is located on a centre of inversion as well as one thiocyanate anion, one pyridine-4-carbothioamide ligand and one methanol molecule in general positions

  • The CdII cations are octahedrally coordinated by the pyridine N atom of two pyridine-4-carbothioamide ligands and by the S and N atoms of four thiocyanate anions and are linked into chains along [010] by pairs of anionic ligands

  • One of the amino H atoms of the pyridine-4carbothioamide ligand is hydrogen-bonded to the O atom of a methanol molecule, and a symmetry-related methanol molecule is the donor group to the

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Summary

Chemical context

Thiocyanato anions are versatile ligands that can coordinate to metal cations in different ways (Näther et al, 2013). Compounds in which paramagnetic metal cations are linked into chains by -1,3 bridging anionic ligands are of special interest, because they can show different magnetic behavior (Palion-Gazda et al, 2015) This is the case e.g. for compounds of general composition M(NCS)2(L) (M = Mn, Fe, Co and Ni; L = pyridine derivative) that frequently show cooperative magnetic properties like ferromagnetic or antiferromagnetic ordering or a slow relaxation of the magnetization indicative for single chain magnetic behavior (Näther et al, 2013; Wöhlert et al, 2011; Boeckmann & Näther, 2012; Werner et al, 2015a,b). This is the reason why we are interested in the diamagnetic cadmium analogues In the scope of our systematic work, we became interested in pyridine-4-carbo-

Structural commentary
Supramolecular features
Database survey
Synthesis and crystallization
Refinement details
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