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5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene
Molecules of the title compound, C(56)H(76)Cl(4)O(16)S(4), have crystallographic C (2) symmetry and adopt a 1,3-alternate conformation where the four –OCH(2)CH(2)OCH(2)CH(2)Cl groups are located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The dihedral ang...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968348/ https://www.ncbi.nlm.nih.gov/pubmed/21581981 http://dx.doi.org/10.1107/S1600536809002591 |
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author | Hu, Ling Liu, Yang Ma, Jiang-Ping Guo, Dian-Shun |
author_facet | Hu, Ling Liu, Yang Ma, Jiang-Ping Guo, Dian-Shun |
author_sort | Hu, Ling |
collection | PubMed |
description | Molecules of the title compound, C(56)H(76)Cl(4)O(16)S(4), have crystallographic C (2) symmetry and adopt a 1,3-alternate conformation where the four –OCH(2)CH(2)OCH(2)CH(2)Cl groups are located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The dihedral angles between the plane (R) and the phenolic rings are 72.85 (7) and 74.57 (7)°. An unusual 24-membered macrocyclic ring is formed in the crystal structure with an array of eight intramolecular C—H⋯O hydrogen bonds between the ether arm H atoms and the sulfonyl O atoms. In the supramolecular structure, the molecular components are linked into infinite zigzag one-dimensional chains by a combination of four intermolecular C—H⋯O hydrogen bonds, forming R (2) (2)(13), R (2) (2)(16), R (2) (2)(21) and R (2) (2)(26) ring motifs. These chains are augmented into a wave-like two-dimensional network by weak C⋯O interactions. One tert-butyl group shows rotational disorder, and one CH(2)CH(2)Cl group is disordered over two orientations; the site-occupation factors are 0.756 (6) and 0.244 (6) for the two tert-butyl groups, and 0.808 (3) and 0.192 (3) for the two CH(2)CH(2)Cl units. |
format | Text |
id | pubmed-2968348 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29683482010-12-30 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene Hu, Ling Liu, Yang Ma, Jiang-Ping Guo, Dian-Shun Acta Crystallogr Sect E Struct Rep Online Organic Papers Molecules of the title compound, C(56)H(76)Cl(4)O(16)S(4), have crystallographic C (2) symmetry and adopt a 1,3-alternate conformation where the four –OCH(2)CH(2)OCH(2)CH(2)Cl groups are located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The dihedral angles between the plane (R) and the phenolic rings are 72.85 (7) and 74.57 (7)°. An unusual 24-membered macrocyclic ring is formed in the crystal structure with an array of eight intramolecular C—H⋯O hydrogen bonds between the ether arm H atoms and the sulfonyl O atoms. In the supramolecular structure, the molecular components are linked into infinite zigzag one-dimensional chains by a combination of four intermolecular C—H⋯O hydrogen bonds, forming R (2) (2)(13), R (2) (2)(16), R (2) (2)(21) and R (2) (2)(26) ring motifs. These chains are augmented into a wave-like two-dimensional network by weak C⋯O interactions. One tert-butyl group shows rotational disorder, and one CH(2)CH(2)Cl group is disordered over two orientations; the site-occupation factors are 0.756 (6) and 0.244 (6) for the two tert-butyl groups, and 0.808 (3) and 0.192 (3) for the two CH(2)CH(2)Cl units. International Union of Crystallography 2009-01-28 /pmc/articles/PMC2968348/ /pubmed/21581981 http://dx.doi.org/10.1107/S1600536809002591 Text en © Hu 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 Hu, Ling Liu, Yang Ma, Jiang-Ping Guo, Dian-Shun 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene |
title | 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene |
title_full | 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene |
title_fullStr | 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene |
title_full_unstemmed | 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene |
title_short | 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene |
title_sort | 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[2-(2-chloroethoxy)ethoxy]-2,8,14,20-tetrasulfonylcalix[4]arene |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968348/ https://www.ncbi.nlm.nih.gov/pubmed/21581981 http://dx.doi.org/10.1107/S1600536809002591 |
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