fac-Acetonitriletricarbonyl (dimethylcarbamodithioato- j2S,S00) rhenium(I): crystal structure and Hirshfeld surface analysis

Document

Author(s): Sang Loon Tan See Mun Lee Peter J. Heard Nathan R. Halcovitchc and Edward R. T. Tiekink

Type of publication: Journal paper

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 [361]; 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.

Published URL: https://journals.iucr.org/e/issues/2017/02/00/hb7651/index.html

Date Published: January 15 2017

Publication title: Research Communications

Publisher: Crystallographic Communications

Place of publication: Selangor (Malaysia)

Pages: 213 – 218

Subject(s): Chemistry

DOI: https://doi.org/10.1107/S2056989017000755

Keywords: Crystal structure; Rhenium; Dithiocarbamate; Carbonyl; Hirshfeld surface analysis

Depositing User: Basiratu Kolawole