二溴化2-氮鎓基-3-溴-6-氧代-5,6-二氢吡啶并[1,2-a]喹喔啉-11-鎓的晶体结构
Crystal structure of 2-aza-niumyl-3-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium dibromide.
作者信息
Faizi Md Serajul Haque, Sharkina Natalia O, Iskenderov Turganbay S
机构信息
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, UP 208 016, India.
National Taras Shevchenko University, Department of Chemistry, Volodymyrska str. 64, 01601 Kyiv, Ukraine.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o17-8. doi: 10.1107/S2056989014026127.
The title salt, C12H10BrN3O(2+)·2Br(-), was synthesized from the reaction of N (1),N (4)-bis-(pyridin-2-yl-methyl-idene)benzene-1,4-di-amine and bromine in a methanol solution. All non-H atoms of the 2-aza-niumyl-3-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium cation are nearly coplanar, the maximum deviation being 0.114 (4) Å. In the crystal, the cations and anions are linked through N-H⋯Br hydrogen bonds and weak C-H⋯Br inter-actions, forming a three-dimensional supra-molecular architecture. A short Br⋯Br contact [3.3088 (9) Å] is observed in the crystal.
标题盐C₁₂H₁₀BrN₃O(2+)·2Br(-)是由N(1),N(4)-双-(吡啶-2-基-亚甲基)苯-1,4-二胺与溴在甲醇溶液中反应合成的。2-氮杂鎓基-3-溴-6-氧代-5,6-二氢吡啶并[1,2-a]喹喔啉-11-鎓阳离子的所有非H原子几乎共面，最大偏差为0.114(4)Å。在晶体中，阳离子和阴离子通过N-H⋯Br氢键和弱C-H⋯Br相互作用相连，形成三维超分子结构。在晶体中观察到短的Br⋯Br接触[3.3088(9)Å]。
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