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5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate
In the crystal structure of the title compound, C(60)H(70)N(2)O(10)·4CH(3)CN, the calix[4]arene molecule adopts an open-cone conformation with two intramolecular O—H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methylene C atoms bridg...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969685/ https://www.ncbi.nlm.nih.gov/pubmed/21583190 http://dx.doi.org/10.1107/S1600536809018212 |
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author | Yuan, Jiu-Mao Gao, Yong-Hong Ma, Jian-Ping Guo, Dian-Shun |
author_facet | Yuan, Jiu-Mao Gao, Yong-Hong Ma, Jian-Ping Guo, Dian-Shun |
author_sort | Yuan, Jiu-Mao |
collection | PubMed |
description | In the crystal structure of the title compound, C(60)H(70)N(2)O(10)·4CH(3)CN, the calix[4]arene molecule adopts an open-cone conformation with two intramolecular O—H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methylene C atoms bridging the benzene rings, with dihedral angles ranging from 57.74 (10) to 65.99 (12)°. Two pendant nitrophenyl rings are nearly perpendicular to each other, the dihedral angle being 70.9 (3)°. The asymmetric unit of the crystal structure contains four acetonitrile solvent molecules, one of which lies in the calix cavity and makes C—H⋯π interactions and another links with the calix[4]arene via C—H⋯O hydrogen bonding. One tert-butyl group is disordered over two sets of sites, with a 0.736 (13):0.264 (13) occupancy ratio. |
format | Text |
id | pubmed-2969685 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29696852010-12-30 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate Yuan, Jiu-Mao Gao, Yong-Hong Ma, Jian-Ping Guo, Dian-Shun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(60)H(70)N(2)O(10)·4CH(3)CN, the calix[4]arene molecule adopts an open-cone conformation with two intramolecular O—H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methylene C atoms bridging the benzene rings, with dihedral angles ranging from 57.74 (10) to 65.99 (12)°. Two pendant nitrophenyl rings are nearly perpendicular to each other, the dihedral angle being 70.9 (3)°. The asymmetric unit of the crystal structure contains four acetonitrile solvent molecules, one of which lies in the calix cavity and makes C—H⋯π interactions and another links with the calix[4]arene via C—H⋯O hydrogen bonding. One tert-butyl group is disordered over two sets of sites, with a 0.736 (13):0.264 (13) occupancy ratio. International Union of Crystallography 2009-05-20 /pmc/articles/PMC2969685/ /pubmed/21583190 http://dx.doi.org/10.1107/S1600536809018212 Text en © Yuan 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 Yuan, Jiu-Mao Gao, Yong-Hong Ma, Jian-Ping Guo, Dian-Shun 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate |
title | 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate |
title_full | 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate |
title_fullStr | 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate |
title_full_unstemmed | 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate |
title_short | 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate |
title_sort | 5,11,17,23-tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969685/ https://www.ncbi.nlm.nih.gov/pubmed/21583190 http://dx.doi.org/10.1107/S1600536809018212 |
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