6-甲基-2-氧代-4-(3,4,5-三甲氧基苯基)-1,2,3,4-四氢嘧啶-5-羧酸乙酯的晶体结构

Novina J J, Vasuki G, Suresh M, Padusha M Syed Ali

Department of Physics, Idhaya College for Women, Kumbakonam-1, India.

Department of Physics, Kunthavai Naachiar Govt. Arts College (W) (Autonomous), Thanjavur-7, India.

Acta Crystallogr E Crystallogr Commun. 2015 Feb 25;71(Pt 3):o206-7. doi: 10.1107/S2056989015003576. eCollection 2015 Mar 1.

In the title compound, C17H22N2O6, the di-hydro-pyrimidine ring adopts a flattened boat conformation. The dihedral angle between the benzene ring and the mean plane of the di-hydro-pyrimidine ring is 75.25 (6)°. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif which are linked through N-H⋯O and weak C-H⋯O hydrogen bonds. These, together with π-π ring inter-actions [centroid-centroid distance = 3.7965 (10) Å], give an overall three-dimensional structure.

在标题化合物C₁₇H₂₂N₂O₆中，二氢嘧啶环呈扁平船型构象。苯环与二氢嘧啶环平均平面之间的二面角为75.25 (6)°。在晶体中，分子通过N-H⋯O氢键对相连，形成具有R₂²(8)环 motif 的反演二聚体，这些二聚体通过N-H⋯O和弱C-H⋯O氢键相连。这些相互作用与π-π环相互作用[质心-质心距离 = 3.7965 (10) Å]共同形成了整体三维结构。