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5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate
In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thiacalix[4]arene unit adopts a 1,3-alternate conformation with an intramolecular C—H⋯O hydrogen bond and four C—H⋯π interactions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below th...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983853/ https://www.ncbi.nlm.nih.gov/pubmed/21580692 http://dx.doi.org/10.1107/S1600536810009554 |
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author | Chen, Yue-Feng Liu, Yang Ma, Jian-Ping Guo, Dian-Shun |
author_facet | Chen, Yue-Feng Liu, Yang Ma, Jian-Ping Guo, Dian-Shun |
author_sort | Chen, Yue-Feng |
collection | PubMed |
description | In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thiacalix[4]arene unit adopts a 1,3-alternate conformation with an intramolecular C—H⋯O hydrogen bond and four C—H⋯π interactions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The benzene ring of each 4-MeC(6)H(4)SO(3) unit is nearly perpendicular to one of the two neighboring phenol rings with interplanar angles varying from 72.97 (13) to 78.70 (13)°, while the dihedral angles between the plane (R) and the phenol rings range from 83.04 (7) to 84.30 (9)°. In the supramolecular structure, a solvent-bridged dimer composed of two main molecules is formed by four intermolecular C—H⋯O hydrogen bonds and locally creates an R (4) (4)(26) motif. Such dimers associate further into chains by interdimer C—Cl⋯O short contacts [Cl⋯O 3.182 (5) Å]. Finally, these chains are linked into a two-dimensional network by a combination of interchain C—Br⋯O interactions [Br⋯O = 3.183 (3) and 2.966 (4) Å] as well as C—H⋯O hydrogen bonds. |
format | Text |
id | pubmed-2983853 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29838532010-12-30 5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate Chen, Yue-Feng Liu, Yang Ma, Jian-Ping Guo, Dian-Shun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thiacalix[4]arene unit adopts a 1,3-alternate conformation with an intramolecular C—H⋯O hydrogen bond and four C—H⋯π interactions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The benzene ring of each 4-MeC(6)H(4)SO(3) unit is nearly perpendicular to one of the two neighboring phenol rings with interplanar angles varying from 72.97 (13) to 78.70 (13)°, while the dihedral angles between the plane (R) and the phenol rings range from 83.04 (7) to 84.30 (9)°. In the supramolecular structure, a solvent-bridged dimer composed of two main molecules is formed by four intermolecular C—H⋯O hydrogen bonds and locally creates an R (4) (4)(26) motif. Such dimers associate further into chains by interdimer C—Cl⋯O short contacts [Cl⋯O 3.182 (5) Å]. Finally, these chains are linked into a two-dimensional network by a combination of interchain C—Br⋯O interactions [Br⋯O = 3.183 (3) and 2.966 (4) Å] as well as C—H⋯O hydrogen bonds. International Union of Crystallography 2010-03-20 /pmc/articles/PMC2983853/ /pubmed/21580692 http://dx.doi.org/10.1107/S1600536810009554 Text en © Chen et al. 2010 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 Chen, Yue-Feng Liu, Yang Ma, Jian-Ping Guo, Dian-Shun 5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate |
title | 5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate |
title_full | 5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate |
title_fullStr | 5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate |
title_full_unstemmed | 5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate |
title_short | 5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate |
title_sort | 5,11,17,23-tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983853/ https://www.ncbi.nlm.nih.gov/pubmed/21580692 http://dx.doi.org/10.1107/S1600536810009554 |
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