Synthesis and Crystal Structure of 6-Cyclohexyl-8-methylphenanthridine

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The target compound Ⅳ (C20H21N) 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) (A),β =90°,C20H21N,Mr =275.38,Dc =1.213 g/cm3,V=6029(4) (A)3,Z =16,F(000) =2368,μ(MoKa) =0.527 mm-1,T=240(2) K,2200 independent reflections with 1233 observed ones (I> 2σ(Ⅰ)),R =0.1285 and wR =0.2589 with GOF =1.050 (R =0.2058 and wR =0.3055 for 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.
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