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.
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| Author: | Augusto RiveraORCiD, Jicli José Rojas, Jaime Ríos-MottaORCiD, Michael BolteORCiD |
|---|---|
| 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 |
