Synthesis, crystal structure, and spectral properties of a series of metal complexes with 3,4-dimethyl-5-(2-pyridyl)-1,2,4-triazole

• A series of metal complexes with 3,4-dimethyl-5-(2-pyridyl)-1,2,4-triazole have been prepared.
• We have investigated the crystal structures, vibrational spectroscopy and thermal behavior of the four complexes.
• The hydrogen bondings, edge-to-face C–H π and face-to-face π π interactions in the structures of these complexes have been investigated in detail.

A series of metal complexes with 3,4-dimethyl-5-(2-pyridyl)-1,2,4-triazole (L), trans-[CoL2(MeOH)2](ClO4)2 (1), trans-[NiL2(MeOH)2](ClO4)2 (2), trans-[CuL2(ClO4)2] (3) and trans-[CoL2(NCS)2] (4) have been synthesized, and their molecular structures determined by X-ray crystallography, UV, IR, TGA/DSC, powder XRD and elemental analyses. Structural analyses indicate that both complexes 1 and 2 have a pseudo-octahedral [MN4O2] core with two ClO4− ions in the trans position. While complexes 3 and 4 show a distorted octahedron containing two trans-coordinated anions in 3 with ClO4− but in 4 with NCS−.

C–H · · · π and π · · · π stacking interactions in metal complexes.Figure optionsDownload as PowerPoint slide