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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...

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Autores principales: Yuan, Jiu-Mao, Gao, Yong-Hong, Ma, Jian-Ping, Guo, Dian-Shun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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