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):o1871. doi: 10.1107/S1600536810024724.
In the title compound, C(20)H(18)Br(2)N(4)O(8), the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent mol-ecules are connected into two-mol-ecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.
在标题化合物C₂₀H₁₈Br₂N₄O₈中,嘧啶环的面间角为75.1(2)°。中心苯环相对于两个嘧啶环的面间角分别为66.5(2)°和71.9(2)°。在晶体结构中,相邻分子通过短的Br⋯Br [3.5328(12)Å]和Br⋯O [3.206(3)和3.301(4)Å]相互作用连接成平行于bc平面的双分子厚阵列。还观察到弱的分子间π - π芳香堆积相互作用[质心 - 质心距离 = 3.526(3)Å]。