Akkurt Mehmet, Kennedy Alan R, Mohamed Shaaban K, Abdelhamid Antar A, Miller Gary J
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3168. doi: 10.1107/S1600536812042262. Epub 2012 Oct 20.
Except two F atoms of the -CF(3) group, the title compound, C(14)H(8)BrF(3)N(2)O(3), has an almost planar conformation, the dihedral angle between the aromatic rings being 3.60 (16)°. The mol-ecule adopts the enol-imine tautomeric form, with an intra-molecular O-H⋯N hydrogen bond, which generates an S(6) ring motif. In the crystal, face-to-face π-π stacking [centroid-centroid distances = 3.669 (2) and 3.732 (2) Å] between the aromatic rings of the mol-ecules, which lie in sheets parallel to (202), help to establish the packing.
除了-CF(3)基团的两个F原子外，标题化合物C(14)H(8)BrF(3)N(2)O(3)具有几乎平面的构象，芳环之间的二面角为3.60 (16)°。分子采用烯醇-亚胺互变异构形式，具有分子内O-H⋯N氢键，形成S(6)环模式。在晶体中，分子的芳环之间存在面对面的π-π堆积[质心-质心距离 = 3.669 (2) 和3.732 (2) Å]，这些分子位于平行于(202)的平面中，有助于形成堆积结构。
