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

ABSTRACT: The title fluorinated bis-benzoxazine, C₁₈H₁₈F₂N₂O₂, crystallizes with one half-mol-ecule 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 inter-molecular inter-action in the crystal structure is a C-H⋯F hydrogen bond between the F atoms and the axial H atoms of the OCH₂N methyl-ene group in the oxazine rings of neighbouring mol-ecules. C-H⋯π contacts further stabilize the crystal packing.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC5050787 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature