Dolzhenko Anton V, Sachdeva Nikhil, Tan Geok Kheng, Koh Lip Lin, Chui Wai Keung
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o684. doi: 10.1107/S1600536809007612.
The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings of the mol-ecules are planar [maximum deviations 0.053 (3) and 0.012 (3) Å], while the triazine rings adopt flattened half-boat conformations with the p-bromo-phenyl rings in the flagpole positions. The crystal packing is stabilized by a three-dimensional network of inter-molecular N-H⋯N, N-H⋯O and N-H⋯F hydrogen bonds.
标题化合物C(13)H(9)BrF(3)N(5)O在不对称单元中结晶出两个独立的分子。分子中的嘧啶环是平面的[最大偏差为0.053 (3)和0.012 (3) Å]，而三嗪环采取扁平的半船式构象，对溴苯基环处于船首位置。晶体堆积通过分子间N-H⋯N、N-H⋯O和N-H⋯F氢键的三维网络得以稳定。
