1-（4,5-二硝基-10-氮杂三环-[6.3.1.0]十二碳-2,4,6-三烯-10-基）-2,2,2-三氟乙酮
1-(4,5-Dinitro-10-aza-tricyclo-[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone.
作者信息
Xu Hao, Quan Ji-Cai, Xu Jian, Chen Jing, Wang Jin-Tang
机构信息
College of Science, Nanjing University of Technolgy, Xinmofan Road No.5, Nanjing 210009, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 22;64(Pt 12):o2425. doi: 10.1107/S1600536808028158.
In the title compound, C(13)H(10)F(3)N(3)O(5), a derivative of andrographolide, the five-membered ring adopts an envelope conformation, while the non-planar six-membered ring has a chair conformation. An intra-molecular C-H⋯F hydrogen bond results in the formation of a non-planar six-membered ring adopting a twisted conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.
在标题化合物C₁₃H₁₀F₃N₃O₅（穿心莲内酯的一种衍生物）中，五元环呈信封式构象，而非平面的六元环具有椅式构象。分子内C—H⋯F氢键导致形成一个呈扭曲构象的非平面六元环。在晶体结构中，分子间C—H⋯O氢键将分子连接成中心对称的二聚体。
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