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作 者:LUO Zai-Gang WEI Dan-Dan PENG Cheng-Tong LIU Chen-Fu CHEN Qi-Hua ZHANG Rong-Hao XU Xue-Mei
机构地区:[1]State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines,College of Chemical Engineering,Anhui University of Science and Technology,Huainan 232001,China [2]School of Pharmaceutical Science,Gcwnan Medical University,Ganzhou 341000,China
出 处:《Chinese Journal of Structural Chemistry》2021年第10期1284-1290,共7页结构化学(英文)
基 金:supported by the Natural Science Research Projects in Colleges and Universities of Anhui Province(No.KJ2019A0116);National Training Programs of Innovation and Entrepreneurship for Undergraduates(No.202010361076);Jiangxi Education Hall Science and Technology Foundation(GJJ160998)。
摘 要:The target compound Ⅳ (C_(20)H_(21)N) was synthesized through four-step reactions and structurally determined by single-crystal X-ray diffraction.The crystal of compound Ⅳ is in the orthorhombic system,space group Fdd2 with a=41.178(19),b=30.389(8),c=4.8182(17)Å,β=90°,C_(20)H_(21)N,M_(r)=275.38,D_(c)=1.213g/cm^(3),V=6029(4)Å^(3),Z=16,F(000)=2368,μ(Mo Ka)=0.527 mm^(-1),T=240(2) K,2200 independent reflections with 1233 observed ones (I>2σ(I)),R=0.1285 and w R=0.2589 with GOF=1.050 (R=0.2058 and w R=0.3055for all data).A one-dimensional interaction model of the title compound was formed by one kind of π-π interactions between the two phenyl rings of the adjacent molecules at upper and lower levels.The inhibition to the strand transfer process of HIV-1 integrase of the target compound was also evaluated.
关 键 词:PHENANTHRIDINE SYNTHESIS crystal structure HIV-1 integrase
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