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

In the title compound, [ReBr(C 13 H 10 N 4 )(CO) 3 ], the Re I atom has a distorted octahedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1 H -1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl li...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2014-12, Vol.70 (12), p.587-589
Hauptverfasser: Piletska, Kseniia, Domasevitch, Konstantin V., Shtemenko, Alexander V.
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Sprache:eng
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Zusammenfassung:In the title compound, [ReBr(C 13 H 10 N 4 )(CO) 3 ], the Re I atom has a distorted octahedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1 H -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 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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536814025604