6533b829fe1ef96bd128a5c7
RESEARCH PRODUCT
Halogen and Hydrogen Bonded Complexes of 5-Iodouracil
Jani O. MoilanenHeikki M. TuononenArto ValkonenKari RissanenMaryna Chukhliebsubject
FormamideHalogen bondvetysidoksetHydrogenHydrogen bondInorganic chemistryIntermolecular forcechemistry.chemical_element5-jodourasiili5-iodouracilGeneral ChemistryCrystal structureCondensed Matter Physicshydrogen bondingCrystallographychemistry.chemical_compoundchemistryhalogen bondingHalogenhalogeenisidoksetGeneral Materials ScienceSingle crystalta116description
Three derivatives of 5-iodouracil were prepared, and their complexation properties, supplemented by 5-iodouracil under the same conditions, were studied with and without halogen bond acceptors in N,N-dimethylformamide, N,N-diethylformamide, N-methylformamide, formamide, dimethylsulfoxide, and water. The intermolecular halogen and hydrogen bonding interactions observed in the solid state were investigated using single crystal X-ray diffraction and quantum chemical calculations, and the acquired data were contrasted with bonding interactions previously reported for 5-iodouracil in the Cambridge Structural Database. It was found that the polarized iodine atom and the amidic NH functionality act simultaneously in 5-iodouracil and its derivatives, for which reason the halogen and hydrogen bonds play an equally important role in controlling the resulting crystal structures. peerReviewed
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-10-08 |