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fac-Aceto­nitrile­tricarbon­yl(di­methyl­carbamodi­thio­ato-κ(2) S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis

The title compound, [Re(C(3)H(6)NS(2))(C(2)H(3)N)(CO)(3)], features an octa­hedrally coordinated Re(I) atom within a C(3)NS(2) 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 liga...

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Detalles Bibliográficos
Autores principales: Tan, Sang Loon, Lee, See Mun, Heard, Peter J., Halcovitch, Nathan R., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290568/
https://www.ncbi.nlm.nih.gov/pubmed/28217345
http://dx.doi.org/10.1107/S2056989017000755
Descripción
Sumario:The title compound, [Re(C(3)H(6)NS(2))(C(2)H(3)N)(CO)(3)], features an octa­hedrally coordinated Re(I) atom within a C(3)NS(2) 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)(C(3)H(6)NS(2))L] structures.