5-苯甲酰基-4-羟基-6-(4-硝基苯基)-4-三氟甲基-3,4,5,6-四氢嘧啶-2(1H)-酮一水合物
5-Benzoyl-4-hydr-oxy-6-(4-nitro-phen-yl)-4-trifluoro-meth-yl-3,4,5,6-tetrahydro-pyrimidin-2(1H)-one monohydrate.
作者信息
Yang Feng-Ling, Zhang Jing, Yao Chang-Sheng
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o87-8. doi: 10.1107/S160053680804124X.
The asymmetric unit of the title compound, C(18)H(14)F(3)N(3)O(5)·H(2)O, contains two independent formula units. The two heterocyclic mol-ecules differ in the orientations of the benzoyl-phenyl group with respect to the tetra-hydro-pyrimidine ring [C-C-C-C torsion angles of 64.5 (3) and 67.1 (3)°]. In both mol-ecules the pyrimidine ring adopts a half-chair conformation. The mol-ecules are linked into a two-dimensional network parallel to (001) by N-H⋯O and O-H⋯O hydrogen bonds.
标题化合物C(18)H(14)F(3)N(3)O(5)·H(2)O的不对称单元包含两个独立的分子式单元。两个杂环分子中苯甲酰基苯基相对于四氢嘧啶环的取向不同[C-C-C-C扭转角分别为64.5 (3)°和67.1 (3)°]。在两个分子中，嘧啶环均呈半椅式构象。分子通过N-H⋯O和O-H⋯O氢键连接成平行于(001)的二维网络。
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