6-（三氟甲基）嘧啶-2,4（1H，3H）-二酮一水合物
6-(Trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione monohydrate.
作者信息
Li Gong-Chun, Wang Hong-Sheng, Niu Yu-Jiao, Yang Feng-Ling
机构信息
College of Chemistry and Chemical Engineering, Xuchang University, Xuchang, Henan Province 461000, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):o1699. doi: 10.1107/S1600536810022683.
The title compound, C(5)H(3)F(3)N(2)O(2)·H(2)O, was prepared by the reaction of ethyl 4,4,4-trifluoro-3-oxobutano-ate with urea. In the crystal, the 6-(trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds. A ring dimer structure is formed by additional inter-molecular N-H⋯O hydrogen bonds.
标题化合物C(5)H(3)F(3)N(2)O(2)·H(2)O是由4,4,4-三氟-3-氧代丁酸乙酯与尿素反应制备而成。在晶体中，6-(三氟甲基)嘧啶-2,4(1H,3H)-二酮和水分子通过N-H⋯O和O-H⋯O氢键相连。通过额外的分子间N-H⋯O氢键形成了环状二聚体结构。
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