Zou Dan, Lü Xingqiang, Zhao Shunsheng, Liu Xiangrong
College of Chemical Engineering, Northwest University, Xi'an 710069, Shannxi, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3148. doi: 10.1107/S160053681204086X. Epub 2012 Oct 20.
The mol-ecule of the title compound, C(23)H(18)Cl(2)N(4)O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 32.61 (19), 76.73 (14) and 52.57 (19)° with the three benzene rings. The secondary amino group is involved in an intra-molecular N-H⋯O hydrogen bond. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers. An offset stacking inter-action is observed between the chloro-substituted benzene rings protruding on both sides of these dimers [centroid-centroid distance = 3.862 (1) Å].
标题化合物C(23)H(18)Cl(2)N(4)O的分子呈非平面构象，其中吡唑啉酮环与三个苯环形成的二面角分别为32.61 (19)°、76.73 (14)°和52.57 (19)°。仲氨基参与分子内N-H⋯O氢键。在晶体中，分子通过N-H⋯O氢键对相连，形成倒转二聚体。在这些二聚体两侧突出的氯代苯环之间观察到偏移堆积相互作用[质心-质心距离 = 3.862 (1) Å]。
