3,6,9,16,19,22-Hexaaza-tricyclo-[22.2.2.211,14]-triaconta-1(27), 11 (30),12,14(29),24(28),25-hexa-ene hexa-kis(p-toluene-sulfonate) dihydrate

Abstract

In the title compound, C24H44N6 6+·6C 7H7O3S-·2H2O, the macrocycle crystallizes in its hexa-protonated form, accompanied by six p-toluene-sulfonate ions and two water mol-ecules, and lies on an inversion center. The three independent p-toluene-sulfonate anions and their inversion equivalents at (1- x, 1- y, 1- z) are linked to the macrocyclic cation through N- H⋯O hydrogen bonds. Of these, two p-toluene-sulfonate ions are located on opposite sides of the macrocyclic plane and are linked to bridgehead N atoms via N- H⋯O hydrogen bonds. The remaining four p-toluene-sulfonate ions bridge two adjacent macrocyclic cationic units through N- H⋯O hydrogen bonding involving other N atoms, forming a chain along the a axis. The water mol-ecules, which could not be located and may be disordered, do not inter-act with the macrocycle; however, they form hydrogen bonds with anions.