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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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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
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author Saeed, Musabbir A.
Thompson, Jameskia J.
Fronczek, Frank R.
Hossain, Md. Alamgir
author_facet Saeed, Musabbir A.
Thompson, Jameskia J.
Fronczek, Frank R.
Hossain, Md. Alamgir
author_sort Saeed, Musabbir A.
collection PubMed
description 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.
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spelling pubmed-28223862010-02-16 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 Saeed, Musabbir A. Thompson, Jameskia J. Fronczek, Frank R. Hossain, Md. Alamgir Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2009-09-09 /pmc/articles/PMC2822386/ /pubmed/20165564 http://dx.doi.org/10.1107/S1600536809035648 Text en © Saeed et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Saeed, Musabbir A.
Thompson, Jameskia J.
Fronczek, Frank R.
Hossain, Md. Alamgir
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2822386/
https://www.ncbi.nlm.nih.gov/pubmed/20165564
http://dx.doi.org/10.1107/S1600536809035648
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