Acta Cryst. (2009). E65, o2405-o2406  [ doi:10.1107/S1600536809035648 ]

3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14]triaconta-1(27),11 (30),12,14(29),24(28),25-hexaene hexakis(p-toluenesulfonate) dihydrate

M. A. Saeed, J. J. Thompson, F. R. Fronczek and M. A. Hossain

Abstract: In the title compound, C₂₄H₄₄N₆⁶⁺·6C₇H₇O₃S^-·2H₂O, the macrocycle crystallizes in its hexaprotonated form, accompanied by six p-toluenesulfonate ions and two water molecules, and lies on an inversion center. The three independent p-toluenesulfonate anions and their inversion equivalents at (1 - x, 1 - y, 1 - z) are linked to the macrocyclic cation through N-HO hydrogen bonds. Of these, two p-toluenesulfonate ions are located on opposite sides of the macrocyclic plane and are linked to bridgehead N atoms via N-HO hydrogen bonds. The remaining four p-toluenesulfonate ions bridge two adjacent macrocyclic cationic units through N-HO hydrogen bonding involving other N atoms, forming a chain along the a axis. The water molecules, which could not be located and may be disordered, do not interact with the macrocycle; however, they form hydrogen bonds with anions.

Online 9 September 2009

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