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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

In the title compound, C(24)H(44)N(6) (6+)·6C(7)H(7)O(3)S(−)·2H(2)O, 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 eq...

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Detalles Bibliográficos
Autores principales: Saeed, Musabbir A., Thompson, Jameskia J., Fronczek, Frank R., Hossain, Md. Alamgir
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2822386/
https://www.ncbi.nlm.nih.gov/pubmed/20165564
http://dx.doi.org/10.1107/S1600536809035648
Descripción
Sumario:In the title compound, C(24)H(44)N(6) (6+)·6C(7)H(7)O(3)S(−)·2H(2)O, 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.