Prabhu M, Parthipan K, Ramu A, Chakkaravarthi G, Rajagopal G
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2716. doi: 10.1107/S1600536811038268. Epub 2011 Sep 30.
There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(9)BrClN(3)O(2), in which the dihedral angles between the benzene and pyridine rings are 8.23 (9)° and 52.84 (12)°. Both the mol-ecules exist in an E configuration with respect to the C=N double bond. The two mol-ecules in the asymmetric unit are linked via weak C-H⋯O hydrogen bonds. In both the mol-ecules, an intra-molecular O-H⋯N hydrogen bond generate an S(6) graph-set motif. In the crystal, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds generate bifurcated R(1) (2)(7) ring motifs. The crystal packing is further stabilized by weak inter-molecular N-H⋯O, N-H⋯N, C-H⋯O and π-π [centroid-centroid distance 3.615 (2) Å] inter-actions.
标题化合物C(13)H(9)BrClN(3)O(2)的不对称单元中有两个独立分子,其中苯环和吡啶环之间的二面角分别为8.23 (9)°和52.84 (12)°。两个分子中C=N双键均呈E构型。不对称单元中的两个分子通过弱C-H⋯O氢键相连。在两个分子中,分子内O-H⋯N氢键形成一个S(6)图式结构。在晶体中,分子间N-H⋯O和C-H⋯O氢键形成分叉的R(1) (2)(7)环结构。分子间弱的N-H⋯O、N-H⋯N、C-H⋯O和π-π [质心-质心距离3.615 (2) Å]相互作用进一步稳定了晶体堆积。