Crystal structure of bromido-fac-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N,N′]rhenium(I)

Abstract

In the title compound, [ReBr(C13H10N4)(CO)3], the ReI atom has a distorted octahedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the ReI atom. Mutual N—H...Br hydrogen bonds arrange molecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H...O and C—H...Br hydrogen bonds, as well as by slipped π–π stacking interactions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.

Keywords

• Crystal structure
• rhenium carbonyl complex
• 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole
• hydrogen bonding
• slipped π–π stacking interactions