RESUMEN
The synthesis and characterization of a new series of neutral, six-coordinated mixed-ligand compounds [M(III)(PS)2(L)] (M = Re; (99)Tc), where PS is bis(arylalkyl)- or trialkylphosphinothiolate and L is dithiocarbamate, are reported. Stable [M(III)(PS)2(L)] complexes were easily synthesized, in good yield, starting from precursors where the metal was in different oxidation states (III, V, and VII), involving ligand-exchange and/or redox-substitution reactions. The compounds were characterized by elemental analysis, positive-ion electrospray ionization mass spectrometry, multinuclear NMR spectroscopy, cyclic voltammetry, and X-ray diffraction analysis. All complexes are constituted by the presence of the [M(III)(PS)2](+) moiety, where two phosphinothiolate ligands are tightly bound to the metal and the remaining two positions are saturated by a dithiocarbamate chelate, also carrying bulky bioactive molecules [e.g., (2-methoxyphenyl)piperazine]. X-ray analyses were performed on crystalline specimens of four different Re/(99)Tc compounds sharing a distorted trigonal-prismatic geometry, with a P2S4 coordination donor set. The possibility of easily preparing these [M(III)(PS)2(L)] complexes, starting from the corresponding permetalate anions, in mild reaction conditions and in high yield, lays the first stone to the preparation of a new series of M(III)-based (M = (99m)Tc/(188)Re) compounds potentially useful in theragnostic applications.
Asunto(s)
Compuestos Organometálicos/uso terapéutico , Tomografía Computarizada de Emisión de Fotón Único , Carbamatos/química , Cristalografía por Rayos X , Ligandos , Modelos Moleculares , Conformación Molecular , Compuestos Organometálicos/química , Fosfinas/química , Renio/química , Compuestos de Sulfhidrilo/química , Tecnecio/químicaRESUMEN
In the crystal of the title compound, C(10)H(12)O(2), there are two symmetry-independent molecules, which are essentially superimposable. Each molecule exhibits an intramolecular O-H.O hydrogen bond, with O.O separations of 2.483 (4) and 2.468 (4) A.
RESUMEN
The preferred crystalline, solution, and in vacuo arrangements of 1-[[1-[2-trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrroli dinone (BMY-21502) were investigated by means of single-crystal X-ray diffraction, 1H and 13C NMR spectroscopy, and semiempirical molecular orbital and molecular mechanics calculations. The X-ray powder diffraction pattern is also reported.