fac-Aceto-nitrile-tricarbon-yl(di-methyl-carbamodi-thio-ato-κ²S, S')rhenium(I): crystal structure and Hirshfeld surface analysis

The title compound, [Re(C₃H₆NS₂)(C₂H₃N)(CO)₃], features an octa-hedrally coordinated Re^I 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.