Syntheses, crystal structures, and spectral characterization of an asymmetrically substituted 1,2,4-triazole and its iron(II) complex

One new asymmetrically substituted 1,2,4-triazole, 4-amino-3-(p- bromophenyl)-5-(2-pyridyl)-1,2,4-triazole (L), and its iron(II) complex, trans-[FeL2(NCS)2] (1), have been synthesized and characterized by elemental analyses, FT-IR, ¹H NMR, ESI mass spectra, and single-crystal X-ray crystallography. Crystallographic studies revealed that 1 contains a distorted octahedral [FeN6] core with two trans NCS^-. Each L adopts a chelating bidentate coordination via N of pyridyl and one N of the triazole ring. Magnetic susceptibility measurements indicated that 1 remained in a high-spin state between 1.8 and 300 K.