Dolzhenko Anton V, Tan Geok Kheng, Koh Lip Lin, Dolzhenko Anna V, Chui Wai Keung
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1183-4. doi: 10.1107/S1600536811014176. Epub 2011 Apr 22.
The 1,2,4-triazolo[1,5-a][1,3,5]triazine system in the title compound, C(17)H(14)FN(7)·2CH(3)OH, is essentially planar, with an r.m.s. deviation of 0.0215 Å. The attached phenyl ring lies almost in the mean plane of the heterocyclic core [dihedral angle = 3.56 (4)°]. In the crystal, centrosymmetric inversion dimers connected via inter-molecular N-H⋯N hydrogen bonds between H atom of the primary amino group and the triazine N atom [R(2) (2)(8) graph-set motif] form sheets parallel to (010). A second set of dimers connected via N-H⋯F hydrogen bonds between the other H atom of the primary amino group and the F atom forms an R(2) (2)(24) graph-set motif linking the sheets. Methanol solvent mol-ecules are packed in channels running along the [010] direction.
标题化合物C(17)H(14)FN(7)·2CH(3)OH中的1,2,4-三唑并[1,5-a][1,3,5]三嗪体系基本呈平面结构，均方根偏差为0.0215 Å。连接的苯环几乎位于杂环核心的平均平面内[二面角 = 3.56 (4)°]。在晶体中，通过伯氨基的H原子与三嗪N原子之间的分子间N-H⋯N氢键连接形成的中心对称反演二聚体[R(2) (2)(8)图集 motif]形成平行于(010)的片层。通过伯氨基的另一个H原子与F原子之间的N-H⋯F氢键连接形成的第二组二聚体形成一个R(2) (2)(24)图集 motif，将这些片层连接起来。甲醇溶剂分子堆积在沿[010]方向延伸的通道中。
