AboulWafa Omaima M, Farghaly Ahmed M, Teleb Mohamed, Sinoussy Khaled S
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Alexandria University, Alexandria 21521, Egypt.
National Institute of Oceanography and Fisheries, Alexandria University, Alexandria 21556, Egypt.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o672-3. doi: 10.1107/S1600536814010113. eCollection 2014 Jun 1.
In the title compound, C15H14N4O2, the triazolo-pyrimidine ring system is almost planar (r.m.s. deviation = 0.02 Å) and the phenyl ring is inclined to its mean plane by 42.45 (9)°. The carboxyl group is inclined to the triazolo-pyrimidine ring mean plane by 57.8 (3)°. In the mol-ecule, there is a short C-H⋯O contact involving the carbonyl O atom and an H atom of the adjacent methyl substituent. In the crystal, neighbouring mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains propagating along [010]. There are also weak π-π inter-actions present involving the pyridine and phenyl rings of neighbouring chains [inter-centroid distance = 3.8580 (16) Å].
在标题化合物C₁₅H₁₄N₄O₂中，三唑并嘧啶环系几乎呈平面状（均方根偏差 = 0.02 Å），苯环与其平均平面倾斜42.45 (9)°。羧基与三唑并嘧啶环平均平面倾斜57.8 (3)°。在分子中，存在一个涉及羰基O原子和相邻甲基取代基的H原子的短C-H⋯O接触。在晶体中，相邻分子通过C-H⋯O氢键相连，形成沿[010]方向延伸的链。还存在涉及相邻链的吡啶环和苯环的弱π-π相互作用[质心间距 = 3.8580 (16) Å]。
