Crystal structure and C-H...F hydrogen bonding in the fluorinated bis-benzoxazine : 3,3'-(ethane-1,2-di­yl)bis­(6-fluoro-3,4-di­hydro-2H-1,3-benzoxazine)

The title fluorinated bis­benzoxazine, C18H18F2N2O2, crystallizes with one half-mol­ecule in the asymmetric unit, which is completed by inversion symmetry. The fused oxazine ring adopts an approximately half-chair confor
The title fluorinated bis­benzoxazine, C18H18F2N2O2, crystallizes with one half-mol­ecule in the asymmetric unit, which is completed by inversion symmetry. The fused oxazine ring adopts an approximately half-chair conformation. The two benzoxazine rings are oriented anti to one another around the central C-C bond. The dominant inter­molecular inter­action in the crystal structure is a C-H...F hydrogen bond between the F atoms and the axial H atoms of the OCH2N methyl­ene group in the oxazine rings of neighbouring mol­ecules. C-H...[pi] contacts further stabilize the crystal packing.
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Metadaten
Author:Augusto Rivera, Jicli José Rojas, Jaime Ríos-Motta, Michael Bolte
URN:urn:nbn:de:hebis:30:3-428805
URL:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050787
DOI:http://dx.doi.org/10.1107/S2056989016015243
ISSN:2056-9890
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=27746952
Parent Title (English):Acta crystallographica. Section E, Crystallographic communications
Publisher:International Union of Crystallography
Place of publication:Chester
Contributor(s):Jim Simpson
Document Type:Article
Language:English
Date of Publication (online):2017/02/23
Date of first Publication:2016/09/28
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2017/02/23
Tag:benzoxazine; crystal structure; non-conventional hydrogen bonds
Volume:72
Issue:Pt 10
Pagenumber:7
First Page:1509
Last Page:1511
Note:
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
HeBIS PPN:450967468
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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