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

Date Published: June 01, 2012

Publisher: International Union of Crystallography

Author(s): Marietjie Schutte, Theunis J. Muller, Hendrik G. Visser, Andreas Roodt.


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.

Partial Text

For the synthesis of the fac-ReI-tricarbonyl synthon, see: Alberto et al. (1996 ▶). For a similar structure, see: Banerjee et al. (2002 ▶). For related structures, see: Raszeja et al. (2011 ▶); Banerjee & Zubieta (2005 ▶); Banerjee et al. (2004 ▶, 2006 ▶); Kunz et al. (2007 ▶); Wei et al. (2006 ▶); Moore et al. (2010 ▶).