Xu Hai-Zhen, Xu Jian-Ping, Yuan Yan-Wei, Zhang Jin, Zhu You-Quan
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2116. doi: 10.1107/S160053680902950X.
In the title compound, C(21)H(23)N(3)O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38 (8) and 76.94 (6)°. The sec-butyl-amino group is disordered over two positions, with refined site-occupancy factors of 0.730 (4) and 0.270 (4). The compound could potentially be ligand stabilized in the solid state in a keto-enamine tautomeric form. The amine functionality is involved in an intra-molecular N-H⋯O hydrogen bond, while weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds participate in the formation of the crystal structure.
在标题化合物C(21)H(23)N(3)O中，吡唑啉酮环与两个苯环形成的二面角分别为10.38 (8)°和76.94 (6)°。仲丁基氨基在两个位置上无序分布，精制的位点占有率因子分别为0.730 (4)和0.270 (4)。该化合物在固态下可能以酮-烯胺互变异构形式被配体稳定。胺官能团参与分子内N-H⋯O氢键，而弱的分子间C-H⋯O和C-H⋯N氢键参与晶体结构的形成。
