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

Abstract

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.

Keywords:

• Synthesis
• Triazole
• Crystal structure
• Iron(II) complex

Supplementary material

The ¹H NMR spectra of L and IR spectra of L and 1. Crystallographic data for the structures reported in this article have been deposited with the Cambridge Crystallographic Data Center as supplementary publication Nos. CCDC 916981 (L) and 916982 (1). Copies of the data can be obtained free of charge via www.ccdc.cam.ac.uk (or from the Cambridge Crystallographic Center, 12 Union Road, Cambridge CB21EZ, UK; Fax: [phone]; E-mail: [email protected]).

Acknowledgments

This work was funded by the National Nature Science Foundation of China (Nos. 20771059 and 21171093) and the State Key Laboratory of Materials-oriented Chemical Engineering (KL11-03).