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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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 |
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. |
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