Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



lr2084 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.


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