5,5'-[(4-氟苯基)亚甲基]双-[6-氨基-1,3-二甲基嘧啶-2,4(1H,3H)-二酮]的晶体结构
Crystal structure of 5,5'-[(4-fluoro-phen-yl)methyl-ene]bis-[6-amino-1,3-di-methyl-pyrimidine-2,4(1H,3H)-dione].
作者信息
Sharma Naresh, Brahmachari Goutam, Banerjee Bubun, Kant Rajni, Gupta Vivek K
机构信息
Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
Laboratory of Natural Products & Organic Synthesis, Department of Chemistry, Visva-Bharati University, Santiniketan 731 235, West Bengal, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 10;70(Pt 10):o1098-9. doi: 10.1107/S1600536814019886. eCollection 2014 Oct 1.
In the title mol-ecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N-H⋯O hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (001) and in combination with weak C-H⋯O hydrogen bonds, a three-dimensional network is formed. Weak C-H⋯π inter-actions and π-π inter-actions, with a centroid-centroid distance of 3.599 (2) Å are also observed.
在标题分子C₁₉H₂₁FN₆O₄中，苯环与基本平面的嘧啶环之间的二面角[最大偏差为0.036 (2) 和0.056 (2) Å]分别为73.32 (7)°和63.81 (8)°。嘧啶环平均平面之间的二面角为61.43 (6)°。在晶体中，N-H⋯O氢键连接分子，形成平行于(001)的二维网络，并且与弱C-H⋯O氢键相结合，形成三维网络。还观察到弱C-H⋯π相互作用和π-π相互作用，质心-质心距离为3.599 (2) Å。
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