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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...

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Autores principales: Chen, Yue-Feng, Liu, Yang, Ma, Jian-Ping, Guo, Dian-Shun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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.
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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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