fac-Aceto­nitrile­tricarbon­yl(di­methyl­carbamodi­thio­ato-κ2S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis

[摘要] 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. In the crystal, di­thio­carbamate-methyl-H⋯O(carbon­yl) inter­actions lead to supra­molecular chains along [36-1]; both di­thio­carbamate S atoms participate in intra­molecular methyl-H⋯S inter­actions. Further but weaker aceto­nitrile-C—H⋯O(carbonyl) inter­actions assemble mol­ecules in the ab plane. The nature of the supra­molecular 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.

[学科分类] 数学（综合）

[关键词] CRYSTAL STRUCTURE;RHENIUM;DITHIOCARBAMATE;CARBONYL;HIRSHFELD SURFACE ANALYSIS