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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (5′S,8′S)-3-(2,5-di­methyl­phen­yl)-8-meth­oxy-3-nitro-1-aza­spiro­[4.5]decane-2,4-dione
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Crystal structure of (5′S,8′S)-3-(2,5-di­methyl­phen­yl)-8-meth­oxy-3-nitro-1-aza­spiro­[4.5]decane-2,4-dione

机译:(5'S,8'S)-3-(2,5-二甲基苯基)-8-甲氧基-3-硝基-1-氮杂螺[4.5]癸烷-2,4-二酮的晶体结构

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摘要

The title compound, C18H22N2O5, was synthesized by nitrification of its enol precursor. The pyrrolidine ring plane adopts a twisted conformation about the C—C bond linking the spiro centre and the C=O group remote from the N atom. It makes dihedral angles of 71.69 (9) and 88.92 (9)°, respectively, with the benzene ring plane and the plane defined by the four C atoms that form the seat of the of the cyclo­hexane chair. At the spiro centre, the NH group is axial and the C=O group is equatorial with respect to the cyclo­hexane ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R22(8) loops. The dimers are linked by C—H⋯O inter­actions, generating a three-dimensional network.
机译:标题化合物C18H22N2O5是通过将其烯醇前体硝化而合成的。吡咯烷环平面围绕连接螺中心和远离N原子的C = O基团的CC键采用扭曲构象。它与苯环平面和由形成环己烷椅的位点的四个C原子定义的平面分别成71.69°(9)和88.92°(9)°的二面角。在螺中心,相对于环己烷环,NH基团是轴向的,C = O基团是赤道的。在晶体中,由成对的N-H = O氢键连接的反向二聚体生成R22(8)环。二聚体通过C-H = O相互作用链接,生成三维网络。

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