Acta Cryst. (2012). E68, o3317
[ doi:10.1107/S1600536812045618 ]

2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1⁵-phosphatricyclo[3.3.3.0^1,5]undecan-5-ium chloride dihydrate

J. Lee and Y. Kim

Abstract: The asymmetric unit of the title hydrated salt, C₁₈H₄₀N₄P⁺·Cl^-·2H₂O, consists of two ionic molecules and four water molecules. The molecular geometry around the pentacoordinate P atom is trigonal-bipyramidal, with a H atom and an apical N atom in axial positions and three N atoms with isobutyl substituents in equatorial positions. The Cl^- ions and water molecules are connected via O-HCl hydrogen bonds, forming chains along [100]. The ethylene bridging groups are disordered with refined site-occupancy ratios of 0.578 (9):0.422 (9).

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