Cargando…
Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)
The title compound, [Mn{SC(O)CF(2)CH(3)}(CO)(5)], has been isolated as a by-product during the reaction of K[Mn(CO)(5)] with CH(3)CF(2)COCl. It is built up from a difluoromethylpropanethioate bonded to an Mn(CO)(5) moiety through the S atom. The Mn atom has an almost perfect octahedral coordin...
Autores principales: | , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505588/ https://www.ncbi.nlm.nih.gov/pubmed/31110778 http://dx.doi.org/10.1107/S2056989019004134 |
_version_ | 1783416785097195520 |
---|---|
author | Daran, Jean-Claude Morales-Cerrada, Roberto Fliedel, Christophe Gayet, Florence Ladmiral, Vincent Ameduri, Bruno Poli, Rinaldo |
author_facet | Daran, Jean-Claude Morales-Cerrada, Roberto Fliedel, Christophe Gayet, Florence Ladmiral, Vincent Ameduri, Bruno Poli, Rinaldo |
author_sort | Daran, Jean-Claude |
collection | PubMed |
description | The title compound, [Mn{SC(O)CF(2)CH(3)}(CO)(5)], has been isolated as a by-product during the reaction of K[Mn(CO)(5)] with CH(3)CF(2)COCl. It is built up from a difluoromethylpropanethioate bonded to an Mn(CO)(5) moiety through the S atom. The Mn atom has an almost perfect octahedral coordination sphere. It is one of the rare examples of compounds containing the (CO)(5)MnS—C fragment. In the crystal, the methyl group occupies a pocket surrounded by the O atoms of three carbonyl groups of the Mn(CO)(5) moiety; however, the H⋯O distances are rather long. These interactions lead to the formation of layers lying parallel to (101), which enclose R (4) (4)(15) and R (4) (4)(16) ring motifs. The CF(2) group is disordered over two sets of sites with occupancies of 0.849 (3) and 0.151 (3). |
format | Online Article Text |
id | pubmed-6505588 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65055882019-05-20 Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) Daran, Jean-Claude Morales-Cerrada, Roberto Fliedel, Christophe Gayet, Florence Ladmiral, Vincent Ameduri, Bruno Poli, Rinaldo Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Mn{SC(O)CF(2)CH(3)}(CO)(5)], has been isolated as a by-product during the reaction of K[Mn(CO)(5)] with CH(3)CF(2)COCl. It is built up from a difluoromethylpropanethioate bonded to an Mn(CO)(5) moiety through the S atom. The Mn atom has an almost perfect octahedral coordination sphere. It is one of the rare examples of compounds containing the (CO)(5)MnS—C fragment. In the crystal, the methyl group occupies a pocket surrounded by the O atoms of three carbonyl groups of the Mn(CO)(5) moiety; however, the H⋯O distances are rather long. These interactions lead to the formation of layers lying parallel to (101), which enclose R (4) (4)(15) and R (4) (4)(16) ring motifs. The CF(2) group is disordered over two sets of sites with occupancies of 0.849 (3) and 0.151 (3). International Union of Crystallography 2019-04-02 /pmc/articles/PMC6505588/ /pubmed/31110778 http://dx.doi.org/10.1107/S2056989019004134 Text en © Daran et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
spellingShingle | Research Communications Daran, Jean-Claude Morales-Cerrada, Roberto Fliedel, Christophe Gayet, Florence Ladmiral, Vincent Ameduri, Bruno Poli, Rinaldo Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) |
title | Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) |
title_full | Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) |
title_fullStr | Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) |
title_full_unstemmed | Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) |
title_short | Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) |
title_sort | crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κs)manganese(i) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505588/ https://www.ncbi.nlm.nih.gov/pubmed/31110778 http://dx.doi.org/10.1107/S2056989019004134 |
work_keys_str_mv | AT daranjeanclaude crystalstructureofpentacarbonyl22difluoropropanethioatoksmanganesei AT moralescerradaroberto crystalstructureofpentacarbonyl22difluoropropanethioatoksmanganesei AT fliedelchristophe crystalstructureofpentacarbonyl22difluoropropanethioatoksmanganesei AT gayetflorence crystalstructureofpentacarbonyl22difluoropropanethioatoksmanganesei AT ladmiralvincent crystalstructureofpentacarbonyl22difluoropropanethioatoksmanganesei AT ameduribruno crystalstructureofpentacarbonyl22difluoropropanethioatoksmanganesei AT polirinaldo crystalstructureofpentacarbonyl22difluoropropanethioatoksmanganesei |