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1,3,5-Tri-fluoro-2,4,6-tri-iodo-benzene-piperazine (2/1)
Christelle Hajjar1, Jeffrey S Ovens1, David L Bryce1
1Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, ON K1N6N5, Canada.
Abstract:
The single-crystal structure of the title compound, C4H10N2·2C6F3I3, features a moderately strong halogen bond between one of the three crystallographically distinct iodine atoms and the nitro-gen atom. The iodine-nitro-gen distance is 2.820 (3) Å, corresponding to 80% of the sum of their van der Waals radii. The C-I⋯N halogen bond angle is 178.0 (1)°, consistent with the linear inter-action of nitro-gen via a σ-hole opposite the carbon-iodine covalent bond. The other two iodine atoms do not engage in halogen bonding. Some weak C-H⋯F and -H⋯I interactions are also observed. The complete piperazine molecule is generated by symmetry.
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