Reactions of Pentapseudohalonitrosyl ferrate(II) with Morpholinobenzyl benzamide(MBB) and Piperidinobenzyl benzamide(PBB) formed complexes of the type, [Fe(X) 3 (NO)(L-L)] where X = CN ) , NCO ) and N 3 ) and L-L = Morpholinobenzyl benzamide(MBB) and Piperidinobenzyl benzamide(PBB). These compounds have been characterized by various physico-chemical techniques such as elemental analysis, molar conductance, magnetic susceptibility measurements, i.r., electronic spectra, thermal gravimetric analysis. The molecular modeling Studies have been carried out for structural analysis for some of the complexes have been carried out using Hyperchem release 7.52 professional version.