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Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)]

Two rhenium com­plexes, namely, fac-tricarbon­yl(tri­phenyl­phos­phane-κP)(trop­olonato-κ(2) O,O′)rhenium(I), [Re(C(7)H(5)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(Trop)(PPh(3))(CO)(3)] (1), and fac-tricarbon­yl(3,5,7-tri­bromo­tropolonato-κ(2) O,O′)(tri­phenyl­phos­phane-κP)rhenium(I), [Re(C(7)H(2)Br(3...

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Autores principales: Schutte-Smith, Marietjie, Visser, Hendrik Gideon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9167630/
https://www.ncbi.nlm.nih.gov/pubmed/35662135
http://dx.doi.org/10.1107/S205322962200465X
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author Schutte-Smith, Marietjie
Visser, Hendrik Gideon
author_facet Schutte-Smith, Marietjie
Visser, Hendrik Gideon
author_sort Schutte-Smith, Marietjie
collection PubMed
description Two rhenium com­plexes, namely, fac-tricarbon­yl(tri­phenyl­phos­phane-κP)(trop­olonato-κ(2) O,O′)rhenium(I), [Re(C(7)H(5)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(Trop)(PPh(3))(CO)(3)] (1), and fac-tricarbon­yl(3,5,7-tri­bromo­tropolonato-κ(2) O,O′)(tri­phenyl­phos­phane-κP)rhenium(I), [Re(C(7)H(2)Br(3)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(TropBr(3))(PPh(3))(CO)(3)] (2) (TropH is tropolone and and TropBr(3)H is tri­bromo­tropolone), were synthesized and their crystal and mol­ecular structures confirmed by single-crystal X-ray diffraction. Both crystallized in the space group P [Image: see text] and display an array of inter- and intra­molecular inter­actions which were confirmed by solid-state (13)C NMR spectroscopy using cross polarization magic angle spinning (CPMAS) techniques, as well as Hirshfeld surface analysis. The slightly longer Re—P distance of 1 [2.4987 (5) versus 2.4799 (11) Å for 1 and 2, respectively] suggests stronger back donation from the carbonyl groups in the former case, possibly due to the stronger electron-donating ability of the unsubstituted trop­o­lon­ate ring system. However, this is not supported in the Re—CO bond distances of 1 and 2.
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spelling pubmed-91676302022-06-06 Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)] Schutte-Smith, Marietjie Visser, Hendrik Gideon Acta Crystallogr C Struct Chem Research Papers Two rhenium com­plexes, namely, fac-tricarbon­yl(tri­phenyl­phos­phane-κP)(trop­olonato-κ(2) O,O′)rhenium(I), [Re(C(7)H(5)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(Trop)(PPh(3))(CO)(3)] (1), and fac-tricarbon­yl(3,5,7-tri­bromo­tropolonato-κ(2) O,O′)(tri­phenyl­phos­phane-κP)rhenium(I), [Re(C(7)H(2)Br(3)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(TropBr(3))(PPh(3))(CO)(3)] (2) (TropH is tropolone and and TropBr(3)H is tri­bromo­tropolone), were synthesized and their crystal and mol­ecular structures confirmed by single-crystal X-ray diffraction. Both crystallized in the space group P [Image: see text] and display an array of inter- and intra­molecular inter­actions which were confirmed by solid-state (13)C NMR spectroscopy using cross polarization magic angle spinning (CPMAS) techniques, as well as Hirshfeld surface analysis. The slightly longer Re—P distance of 1 [2.4987 (5) versus 2.4799 (11) Å for 1 and 2, respectively] suggests stronger back donation from the carbonyl groups in the former case, possibly due to the stronger electron-donating ability of the unsubstituted trop­o­lon­ate ring system. However, this is not supported in the Re—CO bond distances of 1 and 2. International Union of Crystallography 2022-05-17 /pmc/articles/PMC9167630/ /pubmed/35662135 http://dx.doi.org/10.1107/S205322962200465X Text en © Schutte-Smith and Visser 2022 https://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.
spellingShingle Research Papers
Schutte-Smith, Marietjie
Visser, Hendrik Gideon
Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)]
title Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)]
title_full Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)]
title_fullStr Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)]
title_full_unstemmed Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)]
title_short Crystal and mol­ecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr(3)H)]
title_sort crystal and mol­ecular structures of fac-[re(bid)(pph(3))(co)(3)] [bid is tropolone (troph) and tri­bromo­tropolone (tropbr(3)h)]
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9167630/
https://www.ncbi.nlm.nih.gov/pubmed/35662135
http://dx.doi.org/10.1107/S205322962200465X
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