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

Saeed MA, Thompson JJ, Fronczek FR, Hossain MA - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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-Hcdots, three dots, centeredO hydrogen bonds.The remaining four p-toluenesulfonate ions bridge two adjacent macrocyclic cationic units through N-Hcdots, three dots, centeredO 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, Jackson State University, MS 39217, USA.

ABSTRACT
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-Hcdots, three dots, centeredO 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-Hcdots, three dots, centeredO hydrogen bonds. The remaining four p-toluenesulfonate ions bridge two adjacent macrocyclic cationic units through N-Hcdots, three dots, centeredO 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.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of cationic unit in (1). Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) 1 - x, 1 - y, 1 - z].
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Fap1: The molecular structure of cationic unit in (1). Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) 1 - x, 1 - y, 1 - z].


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

Saeed MA, Thompson JJ, Fronczek FR, Hossain MA - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of cationic unit in (1). Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) 1 - x, 1 - y, 1 - z].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2822386&req=5

Fap1: The molecular structure of cationic unit in (1). Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) 1 - x, 1 - y, 1 - z].
Bottom Line: 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-Hcdots, three dots, centeredO hydrogen bonds.The remaining four p-toluenesulfonate ions bridge two adjacent macrocyclic cationic units through N-Hcdots, three dots, centeredO 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, Jackson State University, MS 39217, USA.

ABSTRACT
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-Hcdots, three dots, centeredO 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-Hcdots, three dots, centeredO hydrogen bonds. The remaining four p-toluenesulfonate ions bridge two adjacent macrocyclic cationic units through N-Hcdots, three dots, centeredO 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.

No MeSH data available.


Related in: MedlinePlus