Fun Hoong-Kun, Goh Jia Hao, Rai Sankappa, Isloor Arun M, Shetty Prakash
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1869-70. doi: 10.1107/S1600536810024785.
In the title compound, C(20)H(18)Cl(2)N(4)O(8), the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link neighbouring mol-ecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl⋯Cl [3.4427 (6) Å] and Cl⋯O [3.1420 (9) and 3.1750 (11) Å] inter-actions. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distance 3.4552 (8) Å] involving the pyrimidine rings.
在标题化合物C₂₀H₁₈Cl₂N₄O₈中，两个嘧啶环相对于中心苯环的二面角分别为66.68（5）°和71.91（6）°。在晶体结构中，分子间的C—H⋯N氢键将相邻分子沿b轴连接成带状结构。这些带通过短的分子间Cl⋯Cl [3.4427（6）Å]和Cl⋯O [3.1420（9）和3.1750（11）Å]相互作用连接成平行于bc平面的二维网络。晶体结构通过涉及嘧啶环的分子间π-π相互作用[质心-质心距离3.4552（8）Å]进一步稳定。
