（2S）-9-甲氧基-2-甲基-4-氧代-3,4,5,6-四氢-2H-2,6-亚甲基苯并[g][1,3,5]恶二唑-11-羧酸乙酯的晶体结构
Crystal structure of ethyl (2S)-9-meth-oxy-2-methyl-4-oxo-3,4,5,6-tetra-hydro-2H- 2,6-methano-benzo[g][1,3,5]oxa-diazocine-11-carboxyl-ate.
作者信息
Dhandapani A, Manivarman S, Subashchandrabose S, Gunasekaran B
机构信息
Post Graduate and Research Department of Chemistry, Government Arts College, C-Mutlur, Chidambaram 608 102, Tamil Nadu, India.
Centre for Research & Development, PRIST University, Vallam, Thanjavur 613 403, Tamil Nadu, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jan 17;71(Pt 2):o117-8. doi: 10.1107/S2056989015000559. eCollection 2015 Feb 1.
In the title compound, C15H18N2O5, the meth-oxy-phenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetra-hydro-pyrimidin-2(1H)-one ring. Both the pyran and tetra-hydro-pyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxyl-ate-substituted C atom as the flap. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming zigzag chains propagating along [010], which enclose R (2) 2(8) ring motifs. The chains are linked by C-H⋯π inter-actions, forming a two-dimensional network parallel to (100).
在标题化合物C₁₅H₁₈N₂O₅中，甲氧基苯基环与四氢嘧啶-2(1H)-酮环的平均平面形成84.70 (12)°的二面角。吡喃环和四氢嘧啶-2(1H)-酮环均具有扭曲的信封构象，以羧酸盐取代的C原子作为瓣片。在晶体中，分子通过N-H⋯O氢键对相连，形成沿[010]方向传播的锯齿链，这些链包围着R (2) 2(8)环 motif。这些链通过C-H⋯π相互作用相连，形成平行于(100)的二维网络。
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