5-（3-氟苯基）-1-苯基-吡唑烷-3-酮
5-(3-Fluoro-phen-yl)-1-phenyl-pyrazolidin-3-one.
作者信息
Liu Yuan-Yuan, Shi Hong, Chu Qing-Yan, Zhu Hong-Jun
机构信息
Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 6;64(Pt 10):o1886. doi: 10.1107/S1600536808026706.
In the mol-ecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92 (3)°. The pyrazolidine ring adopts an envelope conformation. An intra-molecular C-H⋯N hydrogen bond results in the formation of a five-membered ring adopting an envelope conformation. In the crystal structure, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules. There are C-H⋯π contacts between between aromatic H atoms and the phenyl and fluorophenyl rings. A π-π contact between phenyl rings [centroid-centroid distance = 3.926 (1) Å] is also observed.
在标题化合物C(15)H(13)FN(2)O的分子中，苯基和氟苯基环以77.92 (3)°的二面角取向。吡唑烷环呈信封构象。分子内的C-H⋯N氢键导致形成一个呈信封构象的五元环。在晶体结构中，分子间的N-H⋯O和C-H⋯O氢键连接着分子。芳族H原子与苯基和氟苯基环之间存在C-H⋯π接触。还观察到苯基环之间的π-π接触[质心-质心距离 = 3.926 (1) Å]。
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