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25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene

In the title compound, C(56)H(44)Br(4)O(4), the calix[4]arene unit displays the 1,2-alternate conformation with crystallograpically imposed inversion symmetry. The four phen­oxy rings of the calix[4]arene unit are twisted about the mean plane defined by the four methyl­ene C atoms bridging the benze...

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Detalles Bibliográficos
Autores principales: Lee, Eunji, Moon, Suk-Hee, Kim, Tae Ho, Park, Ki-Min
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151756/
https://www.ncbi.nlm.nih.gov/pubmed/21837108
http://dx.doi.org/10.1107/S1600536811022975
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author Lee, Eunji
Moon, Suk-Hee
Kim, Tae Ho
Park, Ki-Min
author_facet Lee, Eunji
Moon, Suk-Hee
Kim, Tae Ho
Park, Ki-Min
author_sort Lee, Eunji
collection PubMed
description In the title compound, C(56)H(44)Br(4)O(4), the calix[4]arene unit displays the 1,2-alternate conformation with crystallograpically imposed inversion symmetry. The four phen­oxy rings of the calix[4]arene unit are twisted about the mean plane defined by the four methyl­ene C atoms bridging the benzene rings, with dihedral angles of 46.73 (6) and 66.11 (5)°. The dihedral angle between adjacent phen­oxy rings is 74.75 (7)°. The two pendant bromo­phenyl rings on the same side of the calix[4]arene unit are nearly perpendicular to each other, with a dihedral angle of 72.85 (10)° due to an intra­molecular C—H⋯π inter­action. In the crystal, a Br⋯Br contact of 3.6350 (5) Å, an inter­molecular C—H⋯Br hydrogen bond and an inter­molecular C—H⋯π inter­action are observed.
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spelling pubmed-31517562011-08-11 25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene Lee, Eunji Moon, Suk-Hee Kim, Tae Ho Park, Ki-Min Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(56)H(44)Br(4)O(4), the calix[4]arene unit displays the 1,2-alternate conformation with crystallograpically imposed inversion symmetry. The four phen­oxy rings of the calix[4]arene unit are twisted about the mean plane defined by the four methyl­ene C atoms bridging the benzene rings, with dihedral angles of 46.73 (6) and 66.11 (5)°. The dihedral angle between adjacent phen­oxy rings is 74.75 (7)°. The two pendant bromo­phenyl rings on the same side of the calix[4]arene unit are nearly perpendicular to each other, with a dihedral angle of 72.85 (10)° due to an intra­molecular C—H⋯π inter­action. In the crystal, a Br⋯Br contact of 3.6350 (5) Å, an inter­molecular C—H⋯Br hydrogen bond and an inter­molecular C—H⋯π inter­action are observed. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151756/ /pubmed/21837108 http://dx.doi.org/10.1107/S1600536811022975 Text en © Lee et al. 2011 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
Lee, Eunji
Moon, Suk-Hee
Kim, Tae Ho
Park, Ki-Min
25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
title 25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
title_full 25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
title_fullStr 25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
title_full_unstemmed 25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
title_short 25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
title_sort 25,26,27,28-tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151756/
https://www.ncbi.nlm.nih.gov/pubmed/21837108
http://dx.doi.org/10.1107/S1600536811022975
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