5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene

Mol­ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop­oxy-substituted aromatic rings are close to parallel to each other [dihedral angle =...

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Detalles Bibliográficos
Autores principales: Hippius, Catharina, Würthner, Frank, Bolte, Michael
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968623/
https://www.ncbi.nlm.nih.gov/pubmed/21582269
http://dx.doi.org/10.1107/S160053680900659X
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author Hippius, Catharina
Würthner, Frank
Bolte, Michael
author_facet Hippius, Catharina
Würthner, Frank
Bolte, Michael
author_sort Hippius, Catharina
collection PubMed
description Mol­ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop­oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propen­oxy-substituted rings enclose a dihedral angle of 70.44 (1)°. The dihedral angles between the methyl­ene C atoms and the aromatic rings shows that the propen­oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the prop­oxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methyl­ene C atoms.
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spelling pubmed-29686232010-12-30 5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene Hippius, Catharina Würthner, Frank Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers Mol­ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop­oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propen­oxy-substituted rings enclose a dihedral angle of 70.44 (1)°. The dihedral angles between the methyl­ene C atoms and the aromatic rings shows that the propen­oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the prop­oxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methyl­ene C atoms. International Union of Crystallography 2009-02-28 /pmc/articles/PMC2968623/ /pubmed/21582269 http://dx.doi.org/10.1107/S160053680900659X Text en © Hippius 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
Hippius, Catharina
Würthner, Frank
Bolte, Michael
5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene
title 5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene
title_full 5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene
title_fullStr 5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene
title_full_unstemmed 5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene
title_short 5-Bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene
title_sort 5-bromo-17-nitro-26,28-prop-2-en­oxy-25,27-dipropoxycalix[4]arene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968623/
https://www.ncbi.nlm.nih.gov/pubmed/21582269
http://dx.doi.org/10.1107/S160053680900659X
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AT boltemichael 5bromo17nitro2628prop2enoxy2527dipropoxycalix4arene

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