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

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 ?-? stacking inter-actions [centroid-to-centroid distance = 3.785?(5)?Å], defining a three-dimensional network.

SUBMITTER: Piletska K 

PROVIDER: S-EPMC4257395 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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

Piletska Kseniia K   Domasevitch Konstantin V KV   Shtemenko Alexander V AV  

Acta crystallographica. Section E, Structure reports online 20141129 Pt 12

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 d  ...[more]

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