1,3,5-三硝基-2,4-双（2-苯基乙烯基）苯。
1,3,5-Trinitro-2,4-bis-(2-phenyl-ethen-yl)benzene.
作者信息
Guo Ze-Rong, Li Hua-Bo, Li Fang
机构信息
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2486. doi: 10.1107/S1600536810034732.
In the title compound, C(22)H(15)N(3)O(6), the central benzene ring and one of the phenyl rings are essentially parallel to each other, making a dihedral angle of 1.35 (16)°. The dihedral angle between the two phenyl rings is 83.56 (19)°. Intra-molecular C-H⋯N and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds. Furthermore, offset face-to-face π-π inter-actions with centroid-centroid distances of 3.644 (2) Å help to stabilize the crystal structure.
在标题化合物C₂₂H₁₅N₃O₆中，中心苯环和其中一个苯环基本相互平行，二面角为1.35 (16)°。两个苯环之间的二面角为83.56 (19)°。分子内存在C—H⋯N和C—H⋯O氢键。在晶体中，分子通过C—H⋯O氢键相连。此外，质心间距为3.644 (2) Å的错位面对面π-π相互作用有助于稳定晶体结构。
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