Synthesis, crystal structure, Hirshfeld surfaces, and spectral properties of Cu(II) and Co(II) complexes with 3-phenoxymethyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole

Abstract

A new asymmetrical substituted triazole, 3-phenoxymethyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole (L) and its complexes, cis-[Cu₂ L ₂Cl₄]·2CH₃CN (1) and trans-[CoL ₂Cl₂]·2H₂O·2CH₃CN (2), have been synthesized and characterized by IR, single-crystal X-ray diffraction, thermogravimetric analyses and Hirshfeld surfaces. In the structure, two L are mainly stabilized by an intermolecular C–H⋯N hydrogen bond. In 1 (or 2), each L involves a doubly-bidentate (or chelating bidentate) coordination mode through one pyridine and two nitrogens (or one) of triazole, respectively. Complex 1 has a distorted trigonal bipyramidal [CuN₃Cl₂] core with two cis Cl⁻ while 2 shows a distorted octahedron [CoN₄Cl₂] with two trans Cl⁻. We also prepared molecular Hirshfeld surface and fingerprint plot for L, 1 and 2, which revealed the influence of different metals on coordinate of L.

Keywords:

• Syntheses
• Triazole
• Crystal structures
• Copper(II) complex
• Cobalt(II) complex

Acknowledgements

This work was funded by the National Nature Science Foundation of China (Nos. 20771059, 20771050 and 20971068) and the Natural Science Foundation of Jiangsu Province (BK2008371).