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[Bis(pyridin-2-ylmeth-yl)amine-?(3)N,N',N'']tricarbonyl-rhenium(I) bromide hemihydrate.

ABSTRACT: The title compound, fac-[Re(C(12)H(12)N(3))(CO)(3)]Br·0.5H(2)O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water mol-ecule, situated on a twofold rotation axis, in the asymmetric unit. The Re(I) atom is facially surrounded by three carbonyl ligands and a tridentate bis-(pyridin-2-ylmeth-yl)amine ligand in a distorted octahedral environment. N-H?Br, O-H?Br, C-H?O and C-H?Br hydrogen bonds are present in the crystal structure and ?-? stacking is also observed [centroid-centroid distances = 3.669?(1)?Å and 4.054?(1)?Å], giving rise to a three-dimentional network. The mol-ecules pack in a head-to-head fashion along the ac plane.

SUBMITTER: Schutte M

PROVIDER: S-EPMC3379082 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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[Bis(pyridin-2-ylmeth-yl)amine-κ(3)N,N',N'']tricarbonyl-rhenium(I) bromide hemihydrate.

Schutte Marietjie M Muller Theunis J TJ Visser Hendrik G HG Roodt Andreas A

Acta crystallographica. Section E, Structure reports online 20120505 Pt 6

The title compound, fac-[Re(C(12)H(12)N(3))(CO)(3)]Br·0.5H(2)O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water mol-ecule, situated on a twofold rotation axis, in the asymmetric unit. The Re(I) atom is facially surrounded by three carbonyl ligands and a tridentate bis-(pyridin-2-ylmeth-yl)amine ligand in a distorted octahedral environment. N-H⋯Br, O-H⋯Br, C-H⋯O and C-H⋯Br hydrogen bonds are present in the crystal structure and π-π stacking is also observed [centroid- ...[more]

PMID: 22719303

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