4-[3,5-双-(三氟甲基)苯基]-6-甲基-2-氧代-1,2,3,4-四氢嘧啶-5-羧酸乙酯
Ethyl 4-[3,5-bis-(trifluoro-meth-yl)phen-yl]-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.
作者信息
Fun Hoong-Kun, Quah Ching Kheng, Babu M, Kalluraya B
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 May 29;65(Pt 6):o1404-5. doi: 10.1107/S1600536809019035.
Abstract
In the title compound, C(16)H(14)F(6)N(2)O(3), the dihydro-pyrimid-in-one ring adopts an envelope conformation. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds into a ribbon-like structure along the b axis. In the ribbon, a pair of bifurcated acceptor N-H⋯O and C-H⋯O bonds generate an R(2) (1)(6) ring motif. Adjacent ribbons are linked via C-H⋯F hydrogen bonds.
摘要
在标题化合物C₁₆H₁₄F₆N₂O₃中，二氢嘧啶酮环呈信封式构象。在晶体中，分子通过N—H⋯O和C—H⋯O氢键沿b轴连接成带状结构。在该带中，一对分叉的受体N—H⋯O和C—H⋯O键形成一个R₂²⁽⁶⁾环 motif。相邻的带通过C—H⋯F氢键相连。
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