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 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.
Author: | Augusto RiveraORCiD, Jicli José Rojas, Jaime Ríos-MottaORCiD, Michael BolteORCiD |
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URN: | urn:nbn:de:hebis:30:3-428805 |
URL: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050787 |
DOI: | https://doi.org/10.1107/S2056989016015243 |
ISSN: | 2056-9890 |
Pubmed Id: | https://pubmed.ncbi.nlm.nih.gov/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 |
Page Number: | 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, Chemie und Pharmazie / Biochemie und Chemie |
Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
Sammlungen: | Universitätspublikationen |
Licence (German): | Creative Commons - Namensnennung 2.0 |