Abstract
The title compound, [Re(C3H6NS2)(C2H3N)(CO)3], features an octa-hedrally coordinated ReI atom within a C3NS2 donor set defined by three carbonyl ligands in a facial arrangement, an aceto-nitrile N atom and two S atoms derived from a symmetrically coordinating di-thio-carbamate ligand. In the crystal, di-thio-carbamate-methyl-H⋯O(carbon-yl) inter-actions lead to supra-molecular chains along [36-1]; both di-thio-carbamate S atoms participate in intra-molecular methyl-H⋯S inter-actions. Further but weaker aceto-nitrile-C-H⋯O(carbonyl) inter-actions assemble mol-ecules in the ab plane. The nature of the supra-molecular assembly was also probed by a Hirshfeld surface analysis. Despite their weak nature, the C-H⋯O contacts are predominant on the Hirshfeld surface and, indeed, on those of related [Re(CO)3(C3H6NS2)L] structures.
Highlights
The title compound, [Re(C3H6NS2)(C2H3N)(CO)3], features an octahedrally coordinated ReI atom within a C3NS2 donor set defined by three carbonyl ligands in a facial arrangement, an acetonitrile N atom and two S atoms derived from a symmetrically coordinating dithiocarbamate ligand
The nature of the supramolecular assembly was probed by a Hirshfeld surface analysis
These ligands have long attracted the attention of coordination chemists owing to their high affinity for heavy-atom centres drawn from transition metals, main group elements as well as lanthanides and actinides
Summary
The reaction between a secondary amine and carbon disulfide in the presence of an alkali metal hydroxide yields a class of ligands, the dithiocarbamates, ()S2CNRR0. In terms of crystal engineering endeavours, dithiocarbamates are not nearly as well studied as carboxylates This partly arises as a result of the greater chelating ability of dithiocarbamate by virtue of the significant contribution of the (2)S2 CN(+)RR0 canonical form to the electronic structure of the anion, i.e. with formal negative charges on each of the sulfur atoms. This has the consequence of reducing the Lewis acidity of the metal atom, often precluding additional donor atoms from entering the coordination sphere.
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