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1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)
The single-crystal structure of the title compound, C(4)H(10)N(2)·2C(6)F(3)I(3), features a moderately strong halogen bond between one of the three crystallographically distinct iodine atoms and the nitrogen atom. The iodine–nitrogen distance is 2.820 (3) Å, corresponding to 80% of the sum of thei...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462296/ https://www.ncbi.nlm.nih.gov/pubmed/36340986 http://dx.doi.org/10.1107/S2414314621010440 |
Sumario: | The single-crystal structure of the title compound, C(4)H(10)N(2)·2C(6)F(3)I(3), features a moderately strong halogen bond between one of the three crystallographically distinct iodine atoms and the nitrogen atom. The iodine–nitrogen 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 interaction of nitrogen 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. [Image: see text] |
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