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Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)

The asymmetric unit of the title compound, C(48)H(54)O(5)S(4)·N(C(2)H(5))(4) (+)·Cl(−), contains two tetra-tert-butyl-[(benzo­yl)meth­oxy]-trihy­droxy-tetra­thia­calix[4]arene mol­ecules, two tetra­ethyl­ammonium cations and two chloride anions. The two calixarene molecules in the asymmetric unit ea...

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Autores principales: Akkurt, Mehmet, Jasinski, Jerry P., Mohamed, Shaaban K., Omran, Omran A., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645050/
https://www.ncbi.nlm.nih.gov/pubmed/26594550
http://dx.doi.org/10.1107/S2056989015018617
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author Akkurt, Mehmet
Jasinski, Jerry P.
Mohamed, Shaaban K.
Omran, Omran A.
Albayati, Mustafa R.
author_facet Akkurt, Mehmet
Jasinski, Jerry P.
Mohamed, Shaaban K.
Omran, Omran A.
Albayati, Mustafa R.
author_sort Akkurt, Mehmet
collection PubMed
description The asymmetric unit of the title compound, C(48)H(54)O(5)S(4)·N(C(2)H(5))(4) (+)·Cl(−), contains two tetra-tert-butyl-[(benzo­yl)meth­oxy]-trihy­droxy-tetra­thia­calix[4]arene mol­ecules, two tetra­ethyl­ammonium cations and two chloride anions. The two calixarene molecules in the asymmetric unit each display a cone conformation. There are no significant differences between the two independent molecules. The guest species do not sit within the calixarene ‘buckets’. In the crystal, extensive O—H⋯O, O—H⋯S and O—H⋯Cl hydrogen bonds and weak C—H⋯O, C—H⋯S and C—H⋯Cl inter­actions link the thia­calixarene mol­ecules, tetra­ethyl­ammonium cations and chloride anions, forming a three-dimensional network encompassing channels running parallel to the a-axis direction. The structure contains a solvent-accessible void of 76 (3) Å(3), but no solvent mol­ecule could reasonably be located. The crystal studied was an inversion twin with a 0.57 (8):0.43 (8) domain ratio.
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spelling pubmed-46450502015-11-20 Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1) Akkurt, Mehmet Jasinski, Jerry P. Mohamed, Shaaban K. Omran, Omran A. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(48)H(54)O(5)S(4)·N(C(2)H(5))(4) (+)·Cl(−), contains two tetra-tert-butyl-[(benzo­yl)meth­oxy]-trihy­droxy-tetra­thia­calix[4]arene mol­ecules, two tetra­ethyl­ammonium cations and two chloride anions. The two calixarene molecules in the asymmetric unit each display a cone conformation. There are no significant differences between the two independent molecules. The guest species do not sit within the calixarene ‘buckets’. In the crystal, extensive O—H⋯O, O—H⋯S and O—H⋯Cl hydrogen bonds and weak C—H⋯O, C—H⋯S and C—H⋯Cl inter­actions link the thia­calixarene mol­ecules, tetra­ethyl­ammonium cations and chloride anions, forming a three-dimensional network encompassing channels running parallel to the a-axis direction. The structure contains a solvent-accessible void of 76 (3) Å(3), but no solvent mol­ecule could reasonably be located. The crystal studied was an inversion twin with a 0.57 (8):0.43 (8) domain ratio. International Union of Crystallography 2015-10-10 /pmc/articles/PMC4645050/ /pubmed/26594550 http://dx.doi.org/10.1107/S2056989015018617 Text en © Akkurt et al. 2015 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 Data Reports
Akkurt, Mehmet
Jasinski, Jerry P.
Mohamed, Shaaban K.
Omran, Omran A.
Albayati, Mustafa R.
Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)
title Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)
title_full Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)
title_fullStr Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)
title_full_unstemmed Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)
title_short Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)
title_sort crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645050/
https://www.ncbi.nlm.nih.gov/pubmed/26594550
http://dx.doi.org/10.1107/S2056989015018617
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