（）-2-（6-氯咪唑并[1,2 -]吡啶-2-基）-3-[4-（二甲基氨基）苯基]丙烯腈的合成与晶体结构
Synthesis and crystal structure of ()-2-(6-chloroimidazo[1,2-]pyridin-2-yl)-3-[4-(di-methyl-amino)phen-yl]acrylo-nitrile.
作者信息
Akonan Ludovic, Ziki Eric, N'guessan Deto Ursul Jean-Paul, Coulibaly Songuigama, Ouattara Mahama, Adohi-Krou Viviane
机构信息
Laboratory of Fundamental and Applied Physics Nangui ABROGOUA University, Abidjan,Ivory Coast.
Laboratory of Matter Environmental and Solar Energy Sciences Research Team: Crystallography and Molecular Physics Félix Houphouët-Boigny University, Abidjan,Ivory Coast.
出版信息
Acta Crystallogr E Crystallogr Commun. 2025 Aug 19;81(Pt 9):853-856. doi: 10.1107/S2056989025007248. eCollection 2025 Sep 1.
The structure of the title compound, CHClN, was determined at low temperature (100 K). In the crystal, the mol-ecules are connected through C-H⋯N and C-H⋯Cl inter-molecular hydrogen bonds generating a network that extend along the [010] direction. In addition, C-H⋯π and π-π stacking inter-actions as well as inter-molecular contacts contribute to the cohesion of the structure. Hirshfeld surface analysis indicates that the contributions to the surface for the H⋯H, H⋯N/ N⋯H, H⋯C/C⋯H, H⋯Cl/Cl⋯H and C⋯C contacts are 30.2, 19.9, 28.6, 12.2 and 3.7%, respectively.
标题化合物CHClN的结构在低温（100 K）下测定。在晶体中，分子通过C-H⋯N和C-H⋯Cl分子间氢键相连，形成一个沿[010]方向延伸的网络。此外，C-H⋯π和π-π堆积相互作用以及分子间接触对结构的凝聚也有贡献。 Hirshfeld表面分析表明，H⋯H、H⋯N/N⋯H、H⋯C/C⋯H、H⋯Cl/Cl⋯H和C⋯C接触对表面的贡献分别为30.2%、19.9%、28.6%、12.2%和3.7%。
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