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31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol

The title compound, C(62)H(76)O(5), known to be one of the most versatile synthetic precursors/inter­mediates of calix[5]arene derivatives, adopts an approximate C (s)-symmetric cone-in conformation. The aryl­oxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cav...

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Autores principales: Gargiulli, Claudia, Gattuso, Giuseppe, Notti, Anna, Nicoló, Francesco, Pappalardo, Andrea
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589006/
https://www.ncbi.nlm.nih.gov/pubmed/23476242
http://dx.doi.org/10.1107/S1600536812047435
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author Gargiulli, Claudia
Gattuso, Giuseppe
Notti, Anna
Nicoló, Francesco
Pappalardo, Andrea
author_facet Gargiulli, Claudia
Gattuso, Giuseppe
Notti, Anna
Nicoló, Francesco
Pappalardo, Andrea
author_sort Gargiulli, Claudia
collection PubMed
description The title compound, C(62)H(76)O(5), known to be one of the most versatile synthetic precursors/inter­mediates of calix[5]arene derivatives, adopts an approximate C (s)-symmetric cone-in conformation. The aryl­oxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cavity, while the benzyl group moves away from the cavity axis. In the crystal, this conformational arrangement is secured by intra- and inter­molecular O—H⋯O hydrogen bonds forming inversion dimers. Four tert-butyl groups are disordered over two orientations, with occupancy ratios of 0.745 (6):0.255 (6), 0.837 (5):0.163 (5), 0.850 (5):0.150 (5) and 0.845 (8):0.155 (8).
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spelling pubmed-35890062013-03-08 31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol Gargiulli, Claudia Gattuso, Giuseppe Notti, Anna Nicoló, Francesco Pappalardo, Andrea Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(62)H(76)O(5), known to be one of the most versatile synthetic precursors/inter­mediates of calix[5]arene derivatives, adopts an approximate C (s)-symmetric cone-in conformation. The aryl­oxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cavity, while the benzyl group moves away from the cavity axis. In the crystal, this conformational arrangement is secured by intra- and inter­molecular O—H⋯O hydrogen bonds forming inversion dimers. Four tert-butyl groups are disordered over two orientations, with occupancy ratios of 0.745 (6):0.255 (6), 0.837 (5):0.163 (5), 0.850 (5):0.150 (5) and 0.845 (8):0.155 (8). International Union of Crystallography 2012-11-24 /pmc/articles/PMC3589006/ /pubmed/23476242 http://dx.doi.org/10.1107/S1600536812047435 Text en © Gargiulli et al. 2012 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
Gargiulli, Claudia
Gattuso, Giuseppe
Notti, Anna
Nicoló, Francesco
Pappalardo, Andrea
31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol
title 31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol
title_full 31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol
title_fullStr 31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol
title_full_unstemmed 31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol
title_short 31-Benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol
title_sort 31-benz­yloxy-5,11,17,23,29-penta-tert-butyl­calix[5]arene-32,33,34,35-tetra­ol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589006/
https://www.ncbi.nlm.nih.gov/pubmed/23476242
http://dx.doi.org/10.1107/S1600536812047435
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