Exploring the structural, electronic and optical properties of furan-2-carboxaldehyde and 2-acetylthiophene nicotinoylhydrazone

Abstract

The crystal and molecular structures of nicotinohydrazide-derived hydrazones, N0-(2-furfurylidene) pyridine-3-carbohydrazide and N0-(1-(2-thienyl)ethylidene) pyridine-3-carbohydrazide, have been determined. The compounds have been also characterized by the solid state IR and UV-Vis spectroscopy. The hydrazones exist in the ketoamine form. According to the results of molecules quantummechanical calculations, performed for isolated molecules, this tautomeric form is energetically unfavorable but in the solid and solution states the observed intermolecular interactions support the presence of this form. The furan derivative crystallizes in two polymorphic forms with two molecules in an asymmetric unit regardless of the crystallization method. © The Author(s) 2010.