One-step synthesis, characterization and X-ray analysis of benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-ones

摘要: Abstract Two isomeric compounds of methoxy substituted benzo[de]benzo[4,5]imidazo[2,1-a] -isoquinolin-7-one were obtained from the one-step ring closure reaction 2-(2-acetamino-5-methoxyphenyl)benzo[de]isoquinoline-1,3-dione under acidic condition. Their structures characterized by using HRMS, NMR spectra analyses together with single crystal X-ray diffraction. Compound 2 crystallizes in monoclinic P2 (1)/n space group cell parameters a = 8.3311(11) A, b = 7.6646(10) A, c = 21.201(2) A, α = 90.00°, β = 95.7380(10)°, γ = 90.00°, V = 1347.0(3) A3 and Z = 4. 3 (1)/c a = 3.8270(3) A, b = 15.8361(14) A, c = 28.559(3) A, β = 94.1090(10)°, V = 1726.4(3) A3 results indicated that it exist non-classically intermolecular interactions molecules two compounds. The substitution position has no obvious influence on whole molecular planarity, but great different formation modes their structural stabilization.