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

• Main Authors: Vieri Fusi, Mauro Formica, Eleonora Macedi, Paola Paoli, Patrizia Rossi
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-12-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812047484

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.