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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2822386 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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