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5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3
The title calix[4]arene compound [systematic name: 3,9,15,34-tetra-tert-butyl-19,29-dioxa-24-thiahexacyclo[15.13.7.1(7,11).1(32,36).0(5,30).0(13,18)]nonatriaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodecaene-38,39-diol], C(52)H(70)O(4)S, displays a cone-like conformation, the opposite a...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647882/ https://www.ncbi.nlm.nih.gov/pubmed/23723848 http://dx.doi.org/10.1107/S1600536813008684 |
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author | Xie, De-Xun An, De-Lie |
author_facet | Xie, De-Xun An, De-Lie |
author_sort | Xie, De-Xun |
collection | PubMed |
description | The title calix[4]arene compound [systematic name: 3,9,15,34-tetra-tert-butyl-19,29-dioxa-24-thiahexacyclo[15.13.7.1(7,11).1(32,36).0(5,30).0(13,18)]nonatriaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodecaene-38,39-diol], C(52)H(70)O(4)S, displays a cone-like conformation, the opposite arene rings bridged by the monothiacrown-3 unit are nearly parallel [dihedral angle = 16.01 (18)°], whereas the other opposite arene rings are twisted to each other at an angle of 74.41 (17)°. Intramolecular O—H⋯O hydrogen bonds help to stabilize the molecular structure. In the crystal, a C—H⋯π interaction occurs. One of the tert-butyl groups is disordered over two sets of sites with a site-occupancy ratio of 0.70:0.30. |
format | Online Article Text |
id | pubmed-3647882 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36478822013-05-30 5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 Xie, De-Xun An, De-Lie Acta Crystallogr Sect E Struct Rep Online Organic Papers The title calix[4]arene compound [systematic name: 3,9,15,34-tetra-tert-butyl-19,29-dioxa-24-thiahexacyclo[15.13.7.1(7,11).1(32,36).0(5,30).0(13,18)]nonatriaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodecaene-38,39-diol], C(52)H(70)O(4)S, displays a cone-like conformation, the opposite arene rings bridged by the monothiacrown-3 unit are nearly parallel [dihedral angle = 16.01 (18)°], whereas the other opposite arene rings are twisted to each other at an angle of 74.41 (17)°. Intramolecular O—H⋯O hydrogen bonds help to stabilize the molecular structure. In the crystal, a C—H⋯π interaction occurs. One of the tert-butyl groups is disordered over two sets of sites with a site-occupancy ratio of 0.70:0.30. International Union of Crystallography 2013-04-10 /pmc/articles/PMC3647882/ /pubmed/23723848 http://dx.doi.org/10.1107/S1600536813008684 Text en © Xie and An 2013 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 Xie, De-Xun An, De-Lie 5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 |
title | 5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 |
title_full | 5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 |
title_fullStr | 5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 |
title_full_unstemmed | 5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 |
title_short | 5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 |
title_sort | 5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3 |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647882/ https://www.ncbi.nlm.nih.gov/pubmed/23723848 http://dx.doi.org/10.1107/S1600536813008684 |
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