[Open access]

[Contents scheme]

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

2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1[lambda]5-phosphatricyclo[,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-H...Cl hydrogen bonds, forming chains along [100]. The ethylene bridging groups are disordered with refined site-occupancy ratios of 0.578 (9):0.422 (9).

Copyright © International Union of Crystallography
IUCr Webmaster