Title of article
fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ2S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis
Author/Authors
Tan, Sang Loon Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia , Lee, See Mun Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia , Heard, Peter J. Office of the Provost - Sunway University, Malaysia , Halcovitch, Nathan R. Department of Chemistry - Lancaster University, UK , Tiekink, Edward R. T. Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia
Pages
10
From page
1
To page
10
Abstract
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.
Keywords
crystal structure , Hirshfeld surface analysis , carbonyl , rhenium , dithiocarbamate
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2017
Record number
2621304
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