3-甲氧基羰基-2-(4-甲氧基苯基)-8-氧代-1-氮杂螺[4.5]癸-1,6,9-三烯-1-醇化物的晶体结构
Crystal structure of 3-meth-oxy-carbonyl-2-(4-meth-oxy-phen-yl)-8-oxo-1-aza-spiro[4.5]deca-1,6,9-trien-1-ium-1-olate.
作者信息
Martins Lucimara Julio, Simoni Deborah de Alencar, Aparicio Ricardo, Coelho Fernando
机构信息
Laboratory of Synthesis of Natural Products and Drugs, Institute of Chemistry, University of Campinas, PO Box 6154 - 13083-970, Campinas, SP, Brazil.
Laboratory of Single Crystal X-Ray Diffraction, Institute of Chemistry, University of Campinas, PO Box 6154 - 13083-970, Campinas, SP, Brazil.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 29;70(Pt 11):o1200-1. doi: 10.1107/S1600536814023277. eCollection 2014 Nov 1.
The title compound, C18H17NO5, was prepared by a synthetic strategy based on the Heck reaction from Morita-Baylis-Hillman adducts. The five-membered ring adopts a slightly twisted conformation on the Ca-Cm (a = aromatic and m = methyl-ene) bond. The dihedral angle between the five-membered ring and the spiro aromatic ring is 89.35 (7)°; that between the five-membered ring and the 4-meth-oxy-benzene ring is 4.65 (7)°. Two short intra-molecular C-H⋯O contacts occur. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds to generate a three-dimensional network.
标题化合物C₁₈H₁₇NO₅是通过基于Heck反应的合成策略，由森田-贝利斯-希尔曼加合物制备而成。五元环在Ca-Cm（a = 芳基且m = 亚甲基）键上呈轻微扭曲构象。五元环与螺芳环之间的二面角为89.35 (7)°；五元环与4-甲氧基苯环之间的二面角为4.65 (7)°。存在两个短的分子内C-H⋯O接触。在晶体中，分子通过C-H⋯O氢键相连，形成三维网络。
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