Structure of trans-dibromo(ethoxo)oxobis(triphenylphosphine)rhenium(V)

Lebuis, Anne‐Marie; Roux, Cécile; Beauchamp, André L.

doi:10.1107/s0108270192004748

Cited by 26 publications

(23 citation statements)

References 11 publications

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Section: Discussionsupporting

confidence: 80%

“…In continuation of our ongoingresearchonthe fieldofrhenium coordinationcompounds, the coordination of amultidentate ligand towards arhenium(V) starting material was attempted. Astructural analysis of the crystalline reaction product showed the recovery of the solvolyzed rhenium(V) starting material whose molecular and crystal structure have been reported earlier, however, as amonoclinic polymorph and aorthorhombic polymorph [3,4]. The title compound is arhenium(V) coordination compound.…”

Section: Discussionmentioning

confidence: 97%

“…The latter shows orientational disorderw ith the main component constituing 67%. The Re-P bond lengths were measured at 2.5283(6) Åand 2.5406(6) Åwhich is invariably shorter than the values reported for the monoclinic polymorph [3]. The rhenium-bromine distances were found at 2.5538(2) Åa nd 2.5696(2) Åwhich is shorter as well as longer as the two values observed in the monoclinic polymorph of the title compound [3].…”

mentioning

confidence: 84%

“…The two Re-O bond distances differ markedly with lengths of 1.6970(14) Åa nd 1.857(10) Åf or the oxido as well as the ethoxido ligand. Both latter values exceed the bond lengths observed for thec orresponding distancesi nt he mono-clinic polymorph [3]. All values are in good agreement with other values observed for comparable rhenium(V) coordination com-pounds whose metrical parameters have been deposited with the Cambridge Structural Database [5].The least-squares planes as defined by thecarbonatomsofthe phenyl groups bonded to the phosphorus atoms enclose angles of 65.90(9)°, 76.77(9)°and 83.57(7)°in the first phosphane ligand and 57.62(9)°, 62.70(8)°a nd 89.86(7)°in the second phosphane ligand.…”

mentioning

confidence: 95%

“…The Re-P bond lengths were measured at 2.5283(6) Åand 2.5406(6) Åwhich is invariably shorter than the values reported for the monoclinic polymorph [3]. The rhenium-bromine distances were found at 2.5538(2) Åa nd 2.5696(2) Åwhich is shorter as well as longer as the two values observed in the monoclinic polymorph of the title compound [3]. The two Re-O bond distances differ markedly with lengths of 1.6970(14) Åa nd 1.857(10) Åf or the oxido as well as the ethoxido ligand.…”

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confidence: 99%

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Crystal structure of trans-dibromido-ethoxido-oxido-bis(triphenylphosphane)- rhenium(V) – a triclinic polymorph, C38H35Br2O2P2Re

Habarurema

Gerber

Hosten

et al. 2015

Zeitschrift Für Kristallographie - New Crystal Structures

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Source of materialThec ompound was obtained upon reaction of bis(3-formyl-4-hydroxyphenyl)methane and trans-ReOBr 3 (PPh 3 ) 2 in ethanol. Crystals suitablefor thediffraction studywereobtaineduponfree evaporationofthe solventatambient conditions. Experimental detailsCarbon-boundHatoms were placed in calculated positions(C-H =0.95Åfor aromatic carbon atoms, C-H=0.99Åfor themethylene group) andw erei ncludedi nt he refinement in the riding model approximation, with U iso (H) setto1.2U eq (C). The Hatoms of the methyl group were allowed to rotate with af ixed angle around the C-C bond to best fit the experimental electron density (HFIX 137 in the SHELXprogram suite [9]), with U iso (H) setto 1.5U eq (C). DiscussionNext to cardiovascular diseases, cancer has become one of the main fatal diseases in industrialized countries. Apart fromclassical surgery,chemo-and radiotherapeutic treatments have entered the arsenal of possible cures for certain types of cancer. All methods, however, suffer from theirown setofproblematic side-effects and, as ac onsequence, the development of radiopharmaceuticals -combining the advantages of chemotherapy as well as radiation methods while at the sametimeavoiding their unique respectiveundesiredside-effects-has been atopic of research [1,2].T ailoring andf ine-tuning of thee nvisionedr adiopharmaceuticals' properties such as lipophilicityand,inparticular, inertness is of paramountimportancewithrespect to possible future in vivo applications in contemporary medicine and requires sound knowledge about structural parameters of the ligands applied if a more heuristic approach in the synthesis is to triumph over pure trial-and-error as it is encountered in this specific field of coordination chemistry up to the present day. In addition, the spatial requirements of pharmaceuticalsa re of importance as this factor influences on their interaction with enzymatic systems and, as a consequence,t he pathway andr ateo fc onjugation, functionalizationand secretionfrom the body. In continuation of our ongoingresearchonthe fieldofrhenium coordinationcompounds, the coordination of amultidentate ligand towards arhenium(V) starting material was attempted. Astructural analysis of the crystalline reaction product showed the recovery of the solvolyzed rhenium(V) starting material whose molecular and crystal structure have been reported earlier, however, as amonoclinic polymorph and aorthorhombic polymorph [3,4]. The title compound is arhenium(V) coordination compound. The octahedral coordination sphere around the central atom is comprised of two triphenylphosphane as well as two bromido ligands in respective trans orientation, an oxido ligand and an ethoxido ligand. The latter shows orientational disorderw ith the main component constituing 67%. The Re-P bond lengths were measured at 2.5283(6) Åand 2.5406(6) Åwhich is invariably shorter than the values reported for the monoclinic polymorph [3]. The rhenium-bromine distances were found at 2.5538(2) Åa nd 2.5696(2) Åwhich is shorter as well as longer as the two...

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Section: Discussionsupporting

confidence: 80%

Section: Discussionmentioning

confidence: 97%

mentioning

confidence: 84%

mentioning

confidence: 95%

mentioning

confidence: 99%

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