Synthesis and Crystal Structure of N-((3-(2-nitrophenyl) propanoyl)oxy)-N-phenylbenzamide

作     者：LIU Xiao-Feng ZHANG Yang LI Jing ZHAO Jing-Si XI Na HE Dian 

作者机构：School of Life Science and EngineeringLanzhou University of Technology Institute of Medicinal ChemistrySchool of Pharmaceutical ScienceLanzhou University Lanzhou Way Biological Science and Technology Development Co.LTD 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2015年第34卷第5期

页      面：688-694页

核心收录：

学科分类：1007[医学-药学(可授医学、理学学位)] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 10[医学] 

基　　金：Supported by the Lanzhou Science and Technology Bureau Program Funds(2013-4-79 2014-1-174 2014-1-214) 

主　　题：crystal structure synthesis N-((3-(2-nitrophenyl) propanoyl)oxy)-N-phenylbenzamide 

摘      要：The title compound N-（（3-（2-nitrophenyl） propanoyl）oxy）-N-phenylbenzamide（C22H18N2O5,Mr = 390.38） was synthesized with nitrobenzene as the starting materials and structurally characterized by 1H NMR,13 C NMR,IR,H RMS（E-SI） and single-crystal X-ray *** crystalline structure of the title compound was studied in *** single-crystal X-ray diffraction revealed that the compound crystallizes in monoclinic,space group P21/n,with a = 14.4481（7）,b = 8.0089（5）,c = 16.6808（9） A,α = 90.00（5）,β = 100.069（5）,γ = 90.00（5）°,Mr = 390.38,V = 1900.46（18） A^3,Z = 4,Dc = 1.364 g/cm^-3,μ = 0.098,F（000） = 816.0,the final R = 0.0530 and w R = 0.1141 for 2525 observed reflections（I 〉 2σ（I））,R（all data） = 0.0813,w R（all data） = 0.1335,completeness to theta of 26.020 is 99.8% and GOF = *** crystal structure contains three branched chains with its center placed at the midpoint of *** phenyl ring（C（8）~C（13）） makes a dihedral angle of 83.5（1） ℃ with the phenyl ring（C（1）~C（6））,and 80.5（1） ℃with the nitro-substituted benzene ring（C（17）~C（22））,indicating that the three rings are not *** bonds（C（10）–H（10）···O（3））,（C（15）–H（15B）···O（4） and C（16）–H（16B）···O（4）） together with π-π stacking interactions stabilize the structure of the *** preliminary biological test shows that the title compound has good antitumor activity against A549 in vitro with the IC50 value of 3.17 μmol.