首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >6-Methyl-1-({[(2E)-2-methyl-3-phenyl­prop-2-en-1-yl]­oxy}meth­yl)-1,2,3,4-tetra­hydro­quinazoline-2,4-dione
【2h】

6-Methyl-1-({[(2E)-2-methyl-3-phenyl­prop-2-en-1-yl]­oxy}meth­yl)-1,2,3,4-tetra­hydro­quinazoline-2,4-dione

机译:6-甲基-1-({{((2E)-2-methyl-3-phenyl­prop-2-en-1-yl] ­oxy} methyl))1,2,3,4-四氢­喹唑啉-2,4-二酮

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摘要

In the title compound, C20H20N2O3, the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethyl­ene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C—C—C— torsion angle = −48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N—H⋯O hydrogen bonds between the amide groups which lead to eight-membered {⋯HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π inter­actions [centroid–centroid distances = 3.5087 (8) and 3.5645 (9) Å].
机译:在标题化合物C20H20N2O3中,构成喹唑啉环的十个原子基本上是平面的(r.m.s.偏差= 0.024Å),并且该平面几乎垂直于末端苯环[二面角= 82.87(7)°]。关于乙烯键[1.335(2)]的构象为E,并且该残基与相邻的苯环之间存在明显的扭曲[CC-CC-扭转角= -48.4(3)°]。晶体结构的特征是通过酰胺基之间成对的N-H = O氢键对连接的中心对称二聚体单元,从而形成八元{⋯HNCO} 2合成子。这些通过C-H⋯O,C-H⋯π和π-π相互作用[质心-质心距离= 3.5087(8)和3.5645(9)]合并为三维结构。

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