X-ray crystal and molecular structure of an organometallic hydrazone containing a zigzag ?-conjugated spacer: [CpFe(?6-C 6H5)-N(Me)N=CH-C6H4-4-NMe 2]+PF6 -

Figueroa, W; fuentealba, m; Manzur, C; Carrillo, D.; Mata J.A.; Hamon J.-R.

Keywords: iron, phenyl, electron, crystal, bond, complex, structure, nitrogen, conformation, ray, compound, atom, diffraction, hydrazone, organometallic, drug, article, conjugation, group, derivative, chemical, X, alkadiene

Abstract

The crystal and molecular structure of the complex [CpFe(?6- C6H5)-N(Me)N=CH-C6H4-4-NMe 2]+PF6-, [1]+PF 6-, was solved by single crystal X-ray diffraction analysis. One of the most salient features observed in this structure is the depyramidalization of both the benzylic nitrogen and the dimethylamino nitrogen atoms which reveals the delocalization of the ?-electron system along the entire hydrazone skeleton from the donor to the acceptor termini, through a quinonoidal deformation and a pseudo-cyclohexadienyl conformation (folding dihedral angle of ca. 7.4°) of the free and coordinated phenyl rings, respectively. Both Cipso-N bond lengths are virtually identical (1. 37 Å), lying between pure single and double bonds. These and other peculiarities are described and compared with the structures of other organometallic hydrazones.

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Título según SCOPUS: X-ray crystal and molecular structure of an organometallic hydrazone containing a zigzag ?-conjugated spacer: [CpFe(?6-C 6H5)-N(Me)N=CH-C6H4-4-NMe 2]+PF6-
Título de la Revista: Journal of the Chilean Chemical Society
Volumen: 48
Número: 3
Editorial: SOC CHILENA QUIMICA
Fecha de publicación: 2003
Página de inicio: 75
Página final: 78
Idioma: English
URL: http://www.scopus.com/inward/record.url?eid=2-s2.0-1242327521&partnerID=q2rCbXpz
Notas: SCOPUS