Abstract
N-(2-(propionic acid)-salicyloyl hydrazone C10H10N2O4·2H2O (H3L) was synthesized by refluxing the aroylhydrazine and pyruvic acid in nonaqueous ethanol. Single crystals of H3L suitable for X-ray measurement were obtained by methanol-water (V/V = 1:1). The theoretical studies on the title compound were carried out at HF/6–31+G(d) and B3LYP/6–31+G(d) levels. The res-ults indicated that HF/6–31+G(d) gave better structural optimization data than B3LYP/6–31+G(d) method. In addition, the thermal stability had been tested by TG-DTG under a nitrogen atmosphere.