Aznan Aina Mardia Akhmad, Abdullah Zanariah, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3076. doi: 10.1107/S1600536811044011. Epub 2011 Oct 29.
The dihedral angle between the benzene and pyridyl rings in the title compound, C(11)H(8)ClN(3)O(2), is 22.65 (10)°, indicating a twisted mol-ecule. The amine H and nitro O atoms form a donor-acceptor pair for an intra-molecular N-H⋯O hydrogen bond so that the nitro group is almost coplanar with the pyridine ring to which it is connected [O-N-C-C torsion angle = 7.4 (3)°]. The pyridine N and Cl atoms are approximately syn. The crystal packing features C-H⋯Cl inter-actions that lead to undulating supra-molecular chains along [101]. These are connected into sheets by π-π inter-actions occurring between the benzene rings and between the pyridine rings of translationally related mol-ecules along the b axis [centroid-centroid distances = length of b axis = 3.7157 (2) Å].
在标题化合物C₁₁H₈ClN₃O₂中，苯环和吡啶环之间的二面角为22.65 (10)°，表明分子呈扭曲状。胺基H原子和硝基O原子形成分子内N-H⋯O氢键的供体-受体对，使得硝基与其相连的吡啶环几乎共面[O-N-C-C扭转角 = 7.4 (3)°]。吡啶N原子和Cl原子大致为顺式。晶体堆积具有C-H⋯Cl相互作用，导致沿[101]方向形成起伏的超分子链。这些链通过沿b轴平移相关分子的苯环之间以及吡啶环之间发生的π-π相互作用连接成片层[质心-质心距离 = b轴长度 = 3.7157 (2) Å]。
