Crystal and molecular structure of 5-trifluorothymine, a metabolite from human urine: Role of fluorine in stacking and hydrogen bonded interactions
Journal of Fluorine Chemistry(2008)
摘要
5-Trifluorothymine [5F3T] is a metabolite found in human urine. It could also be synthesized by cyclizing the ureidoamides to 5-trifluoromethyl-5,6-dihydrouracil by reflexing in hydrochloric acid. The crystal structure of 5F3T reveals an extensive network of linear molecule connected by dimeric NH⋯O bonds stacked on top of each other stabilized by non-bonded interactions involving fluorine atoms, which do not take part in the hydrogen bonding network.
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关键词
Polyflourinated thymines,Stacking of fluorinated bases,Dimeric hydrogen bonding of nucleic acid bases
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