25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile

In the title compound, C(42)H(46)N(2)O(4), both crystallographically independent mol­ecules display a 1,3-alternate conformation. Their crystal packing is stabilized by non-classical C—H⋯N hydrogen bonds. The dihedral angles between the planes of the aromatic rings and the mean plane through the met...

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Autores principales: Budka, Jan, Eigner, Václav, Holakovský, Roman, Kovaříček, Petr, Loužilová, Tereza
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979721/
https://www.ncbi.nlm.nih.gov/pubmed/21579836
http://dx.doi.org/10.1107/S1600536810002242
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author Budka, Jan
Eigner, Václav
Holakovský, Roman
Kovaříček, Petr
Loužilová, Tereza
author_facet Budka, Jan
Eigner, Václav
Holakovský, Roman
Kovaříček, Petr
Loužilová, Tereza
author_sort Budka, Jan
collection PubMed
description In the title compound, C(42)H(46)N(2)O(4), both crystallographically independent mol­ecules display a 1,3-alternate conformation. Their crystal packing is stabilized by non-classical C—H⋯N hydrogen bonds. The dihedral angles between the planes of the aromatic rings and the mean plane through the methyl­ene C atoms bridging the aromatic rings are 78.10 (13), 80.74 (14), 81.89 (12) and 79.05 (14)° for the first mol­ecule, and 71.65 (11), 76.60 (13), 77.97 (14) and 74.76 (13)° for the second mol­ecule. Both mol­ecules have three C atoms of one prop­oxy chain disordered over two set of sites; the site-occupancy factors are 0.7/0.3 and 0.6/0.4, respectively.
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spelling pubmed-29797212010-12-30 25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile Budka, Jan Eigner, Václav Holakovský, Roman Kovaříček, Petr Loužilová, Tereza Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(42)H(46)N(2)O(4), both crystallographically independent mol­ecules display a 1,3-alternate conformation. Their crystal packing is stabilized by non-classical C—H⋯N hydrogen bonds. The dihedral angles between the planes of the aromatic rings and the mean plane through the methyl­ene C atoms bridging the aromatic rings are 78.10 (13), 80.74 (14), 81.89 (12) and 79.05 (14)° for the first mol­ecule, and 71.65 (11), 76.60 (13), 77.97 (14) and 74.76 (13)° for the second mol­ecule. Both mol­ecules have three C atoms of one prop­oxy chain disordered over two set of sites; the site-occupancy factors are 0.7/0.3 and 0.6/0.4, respectively. International Union of Crystallography 2010-01-23 /pmc/articles/PMC2979721/ /pubmed/21579836 http://dx.doi.org/10.1107/S1600536810002242 Text en © Budka et al. 2010 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
Budka, Jan
Eigner, Václav
Holakovský, Roman
Kovaříček, Petr
Loužilová, Tereza
25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile
title 25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile
title_full 25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile
title_fullStr 25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile
title_full_unstemmed 25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile
title_short 25,26,27,28-Tetra­propoxycalix[4]arene-5,17-dicarbonitrile
title_sort 25,26,27,28-tetra­propoxycalix[4]arene-5,17-dicarbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979721/
https://www.ncbi.nlm.nih.gov/pubmed/21579836
http://dx.doi.org/10.1107/S1600536810002242
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AT kovaricekpetr 25262728tetrapropoxycalix4arene517dicarbonitrile
AT louzilovatereza 25262728tetrapropoxycalix4arene517dicarbonitrile

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