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

  • Molecules of the title compound, C40H42BrNO6, 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. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.006 A° ; disorder in main residue; R factor = 0.065; wR factor = 0.130; data-to-parameter ratio = 11.8.

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Metadaten
Verfasserangaben:Catharina Hippius, Frank Würthner, Michael BolteORCiD
URN:urn:nbn:de:hebis:30-69029
DOI:https://doi.org/10.1107/S160053680900659X
Titel des übergeordneten Werkes (Englisch):Acta crystallographica / Section E, Structure reports online
Dokumentart:Wissenschaftlicher Artikel
Sprache:Englisch
Jahr der Fertigstellung:2009
Jahr der Erstveröffentlichung:2009
Veröffentlichende Institution:Universitätsbibliothek Johann Christian Senckenberg
Datum der Freischaltung:04.09.2009
Jahrgang:65
Ausgabe / Heft:o617
Bemerkung:
This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Quelle:Acta Crystallographica Section E, Structure Reports Online, 2009, E65, o617 ; doi:10.1107/S160053680900659X
HeBIS-PPN:217402682
Institute:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
DDC-Klassifikation:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Lizenz (Deutsch):License LogoCreative Commons - Namensnennung 2.0

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