Akhmad Aznan Aina Mardia, Fairuz Zainal Abidin, Abdullah Zanariah, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3176. doi: 10.1107/S1600536811045570. Epub 2011 Nov 5.
In the title compound, C(11)H(8)ClN(3)O(2), the presence of intra-molecular N-H⋯O and C-H⋯N inter-actions help to establish an almost planar mol-ecule [dihedral angle between the pyridine and benzene rings = 9.89 (8)° and r.m.s. deviation for all 17 non-H atoms = 0.120 Å]. Supra-molecular tapes feature in the crystal packing whereby dimeric aggregates sustained by pairs of C-H⋯O inter-actions are connected by π-π inter-actions occurring between translationally related pyridine rings and between translationally related benzene rings along the b axis [centroid-centroid distance = length of b axis = 3.8032 (4) Å].
在标题化合物C(11)H(8)ClN(3)O(2)中，分子内N-H⋯O和C-H⋯N相互作用的存在有助于形成一个几乎平面的分子[吡啶环和苯环之间的二面角 = 9.89 (8)°，所有17个非H原子的均方根偏差 = 0.120 Å]。晶体堆积中存在超分子带，其中由C-H⋯O相互作用对维持的二聚体聚集体通过沿b轴平移相关的吡啶环之间以及平移相关的苯环之间发生的π-π相互作用相连[质心-质心距离 = b轴长度 = 3.8032 (4) Å]。
