Synthesis, Crystal Structure and Antiproliferative Activity of 2,2-Dimethyl-4-oxochroman-3-ylmorpholine-4-carbodithioate

摘要

The crystal structure of the new title compound 2,2-dimethyl-4-oxochroman-3-ylmorpholine-4-carbodithioate(C16H19NO3S2,Mr = 337.44) has been prepared and determined by single-crystal X-ray diffraction.The crystal is of triclinic,space group P1 with a = 9.5518(7),b = 9.7172(7),c = 11.0220(8),α = 67.08(1),β = 74.66(1),= 61.31(1)°,V = 822.72(10)3,Z = 2,Dc = 1.362 g/cm3,F(000) = 356,μ = 0.092 mm-1,MoKa radiation(λ = 0.71073),R = 0.0515 and wR = 0.1389 for 2623 observed reflections with I > 2(I).X-ray diffraction analysis reveals that the chroman ring adopts a half-chair conformation while the morpholine ring shows a chair conformation.Intramolecular and intermolecular C-H···S and C-H···O hydrogen bonds together with π-π interations are found in the structure.The result of MTT assay shows the title compound displays good antiproliferative activity against two human cancer cell lines.