[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3453-o3454
[ doi:10.1107/S1600536812047484 ]

2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate

V. Fusi, M. Formica, E. Macedi, P. Paoli and P. Rossi

Abstract: In the title hydrated salt, C36H66N8O6+·6ClO4-·1.5H2O, the asymmetric unit consists of a hexaprotonated [H6L]6+ cation, five perchlorate anions in general positions, two on twofold rotation axes (one of which is disordered), and two water molecules of crystallization in general positions, one of them disordered around a twofold crystallographic axis. In the [H6L]6+ cation, two strong intramolecular N-H...N hydrogen bonds occur, involving the N atoms of the oxadiazole ring as acceptors and the closest NH+ groups of each dipropylenetriamine unit. In the crystal, the [H6L]6+ cations form channels along the a-axis direction, in which the perchlorate counter-ions and the water molecules are lodged. The crystal packing features a network of N-H...O and O-H...O hydrogen bonds involving the NH+ groups of the [H6L]6+ cation, the perchlorate anions and the water molecules.

Copyright © International Union of Crystallography
IUCr Webmaster