Cargando…

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...

Descripción completa

Detalles Bibliográficos
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
Descripción
Sumario: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.