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

Kseniia Piletska; Konstantin V Domasevitch; Alexander V Shtemenko

doi:10.1107/S1600536814025604

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

Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 29;70(Pt 12):587-9. doi: 10.1107/S1600536814025604. eCollection 2014 Dec 1.

Authors

Kseniia Piletska¹, Konstantin V Domasevitch², Alexander V Shtemenko¹

Affiliations

¹ Department of Inorganic Chemistry, Ukrainian State University of Chemical Technology, Gagarin Ave. 8, Dnipropetrovsk 49005, Ukraine.
² Inorganic Chemistry Department, National Taras Shevchenko University of Kyiv, Volodymyrska Street 64/13, Kyiv 01601, Ukraine.

Abstract

In the title compound, [ReBr(C13H10N4)(CO)3], the Re(I) atom has a distorted octa-hedral 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 Re(I) atom. Mutual N-H⋯Br hydrogen bonds arrange mol-ecules 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 inter-actions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.

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