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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 |
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author | Tan, Sang Loon Lee, See Mun Heard, Peter J. Halcovitch, Nathan R. Tiekink, Edward R. T. |
author_facet | Tan, Sang Loon Lee, See Mun Heard, Peter J. Halcovitch, Nathan R. Tiekink, Edward R. T. |
author_sort | Tan, Sang Loon |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-5290568 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-52905682017-02-17 fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2) S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis Tan, Sang Loon Lee, See Mun Heard, Peter J. Halcovitch, Nathan R. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2017-01-20 /pmc/articles/PMC5290568/ /pubmed/28217345 http://dx.doi.org/10.1107/S2056989017000755 Text en © Tan et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Tan, Sang Loon Lee, See Mun Heard, Peter J. Halcovitch, Nathan R. Tiekink, Edward R. T. fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2) S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis |
title |
fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2)
S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis |
title_full |
fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2)
S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis |
title_fullStr |
fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2)
S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis |
title_full_unstemmed |
fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2)
S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis |
title_short |
fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2)
S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis |
title_sort | fac-acetonitriletricarbonyl(dimethylcarbamodithioato-κ(2)
s,s′)rhenium(i): crystal structure and hirshfeld surface analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290568/ https://www.ncbi.nlm.nih.gov/pubmed/28217345 http://dx.doi.org/10.1107/S2056989017000755 |
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