[Bis(pyridin-2-ylmethyl)amine-κ3N,N′,N′′]tricarbonylrhenium(I) bromide hemihydrate

• Main Authors: Marietjie Schutte, Theunis J. Muller, Hendrik G. Visser, Andreas Roodt
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-06-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812019654
• ISSN: 1600-5368

The title compound, fac-[Re(C12H12N3)(CO)3]Br·0.5H2O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water molecule, situated on a twofold rotation axis, in the asymmetric unit. The ReI atom is facially surrounded by three carbonyl ligands and a tridentate bis(pyridin-2-ylmethyl)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–centroid distances = 3.669 (1) Å and 4.054 (1) Å], giving rise to a three-dimentional network. The molecules pack in a head-to-head fashion along the ac plane.