INIFTA   05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
The true configuration of the benzilosazone isomers”
Autor/es:
M.V.MIRÍFICO; J. A. CARAM; E. J. VASINI
Revista:
TETRAHEDRON LETTERS
Editorial:
Elsevier Science Ltd,
Referencias:
Lugar: Amsterdan; Año: 2006 vol. 47 p. 6919 - 6922
ISSN:
0040-4039
Resumen:
The 1H NMR-based argument previously used to assign con.gurations to the three stereoisomers of benzilosazone is briefly reviewed. The configuration of the stable isomer is shown to be Z,Z by single crystal X-ray diffraction analysis, instead of E,E as previously reported. This assignment, together with physical measurements and spectroscopic (NMR and UV) data, allows the establishment of the configuration of all isomers. Computational methods are employed to clarify the relation between the configuration of the isomers and their 1H NMR, thus explaining the origin of the previous erroneous assignment.