ORGANOMETALLIC 1,5-BENZODIAZEPINE AND 1,5-BENZODIAZE PINIUM COMPOUNDS: SYNTHESIS, CHARACTERIZATION, X-RAY DIFFRACTION STRUCTURES AND THEORETICAL INVESTIGATION

The organometallic tridentate ketoamine or enaminone compound, (η5-Cp)Fe(η5-C J H4)-C(=0)-CH=C(Me)-NH-C6H4-o-NH2, undergoes an intramolecular cyclocondensation promoted by Cu(C10(4))2-6H(2)0 (2:1 molar ratio) affording the neutral 2-ferrocenyl-4-methyl-1,5-benzodiazepine, 1. However, when the molar ratio used is 1:1, the ketoamine or enaminone compound transforms into the 2-ferrocenyl-4-methyl-1,5-benzodiazepinium cation, [2]+. The X-ray molecular structure of 1 exhibits a seven-membered ring with a boat conformation, and two folding dihedral angles along the N(l)-N(2) and C(11)-C(13) axes. In the case of [2]+, the structure shows only one folding dihedral angle along the N(l)-N(2) axis. A rationalization of the properties of 1 and [2]+ is provided through DFT calculations

Bibliographic Details

Main Authors:	GALLARDO,CRISTINA, TRUJILLO,ALEXANDER, FUENTEALBA,MAURICIO, VEGA,ANDRES, CARRILLO,DAVID, MANZUR,CAROLINA
Format:	Digital revista
Language:	English
Published:	Sociedad Chilena de Química 2007
Online Access:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072007000300017
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