Date Published: June 01, 2010
Publisher: International Union of Crystallography
Author(s): Ying Cai.
In the title compound, C8H14N3+·BF4−·H2O, the cation, anion and water molecule all lie on mirror planes. The BF4− anion is disordered over two orientations with occupancies refined to 0.57 (2) and 0.43 (2). The water molecule is linked to the cation via an O—H⋯N hydrogen bond. Weak intermolecular O—H⋯F, C—H⋯O and C—H⋯F hydrogen bonds consolidate the crystal packing.
For applications of 1,4-diazabicyclo[2.2.2]octane derivatives, see: Basaviah et al. (2003 ▶); Almarzoqi et al. (1986 ▶). For a related structure, see: Batsanov et al. (2005 ▶).