3,6,9,16,19,22-Hexaazatricyclo[22.2.2.211,14]triaconta-1(27),11 (30),12,14(29),24(28),25-hexaene hexakis(p-toluenesulfonate) dihydrate

• Main Authors: Musabbir A. Saeed, Jameskia J. Thompson, Frank R. Fronczek, Md. Alamgir Hossain
• Format: Article
• Language: English
• Published: International Union of Crystallography 2009-10-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536809035648

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—H...O 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—H...O hydrogen bonds. The remaining four p-toluenesulfonate 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 molecules, which could not be located and may be disordered, do not interact with the macrocycle; however, they form hydrogen bonds with anions.