Cargando…
Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate
The title compound, [RuCl(2)(C(21)H(26)N(2))(C(11)H(15)N)], is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry intermed...
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/PMC6399687/ https://www.ncbi.nlm.nih.gov/pubmed/30867945 http://dx.doi.org/10.1107/S2056989019001725 |
_version_ | 1783399797582987264 |
---|---|
author | Polyanskii, Kirill B. Alekseeva, Kseniia A. Kumandin, Pavel A. Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. |
author_facet | Polyanskii, Kirill B. Alekseeva, Kseniia A. Kumandin, Pavel A. Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. |
author_sort | Polyanskii, Kirill B. |
collection | PubMed |
description | The title compound, [RuCl(2)(C(21)H(26)N(2))(C(11)H(15)N)], is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry intermediate between square-based pyramidal and trigonal–bipyramidal. The complex shows the usual trans arrangement of the two chloride ligands, with Ru—Cl bond lengths of 2.3397 (8) and 2.3476 (8) Å, and a Cl—Ru— Cl angle of 157.47 (3)°. The crystal structure features C—H⋯Cl, C—H⋯π and π–π stacking interactions. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18], which indicated a solvent cavity of volume 1096 Å(3) containing approximately 419 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data. |
format | Online Article Text |
id | pubmed-6399687 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-63996872019-03-13 Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate Polyanskii, Kirill B. Alekseeva, Kseniia A. Kumandin, Pavel A. Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [RuCl(2)(C(21)H(26)N(2))(C(11)H(15)N)], is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry intermediate between square-based pyramidal and trigonal–bipyramidal. The complex shows the usual trans arrangement of the two chloride ligands, with Ru—Cl bond lengths of 2.3397 (8) and 2.3476 (8) Å, and a Cl—Ru— Cl angle of 157.47 (3)°. The crystal structure features C—H⋯Cl, C—H⋯π and π–π stacking interactions. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18], which indicated a solvent cavity of volume 1096 Å(3) containing approximately 419 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data. International Union of Crystallography 2019-02-08 /pmc/articles/PMC6399687/ /pubmed/30867945 http://dx.doi.org/10.1107/S2056989019001725 Text en © Polyanskii 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 Polyanskii, Kirill B. Alekseeva, Kseniia A. Kumandin, Pavel A. Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate |
title | Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate |
title_full | Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate |
title_fullStr | Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate |
title_full_unstemmed | Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate |
title_short | Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate |
title_sort | crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6399687/ https://www.ncbi.nlm.nih.gov/pubmed/30867945 http://dx.doi.org/10.1107/S2056989019001725 |
work_keys_str_mv | AT polyanskiikirillb crystalstructureof13bis246trimethylphenylimidazolidin2ylidenedichlorido21dimethylaminoethylbenzylidenerutheniumincludinganunknownsolvate AT alekseevakseniiaa crystalstructureof13bis246trimethylphenylimidazolidin2ylidenedichlorido21dimethylaminoethylbenzylidenerutheniumincludinganunknownsolvate AT kumandinpavela crystalstructureof13bis246trimethylphenylimidazolidin2ylidenedichlorido21dimethylaminoethylbenzylidenerutheniumincludinganunknownsolvate AT atiogluzeliha crystalstructureof13bis246trimethylphenylimidazolidin2ylidenedichlorido21dimethylaminoethylbenzylidenerutheniumincludinganunknownsolvate AT akkurtmehmet crystalstructureof13bis246trimethylphenylimidazolidin2ylidenedichlorido21dimethylaminoethylbenzylidenerutheniumincludinganunknownsolvate AT tozeflavienaa crystalstructureof13bis246trimethylphenylimidazolidin2ylidenedichlorido21dimethylaminoethylbenzylidenerutheniumincludinganunknownsolvate |