Synthesis, crystal structure and infrared spectra of new 6- and 7-propylamine-5,8-quinolinediones

摘要: Abstract We synthesized 6-chloro-7-propylamine-5,8-quinolinedione and 7-chloro-6-propylamine-5,8-quinolinedione characterized these new compounds by X-ray diffraction IR spectroscopy techniques supplemented DFT calculations. Analyses were performed with the special attention to structural changes caused different positions of propylamine chain in studied 6- 7-propylamine-5,8-quinolinediones. It was found that title differ significantly crystal structures strongly affects formation H-bonds. The detailed analysis H-bonding 7-substituents as well starting compound 6,7-dichloro-5,8-quinolinedione performed. stabilized mainly N H⋯O, C H⋯O H⋯N type hydrogen bonds. For 7-substituted 5,8-quinolinedione a strong twist against rings’ plane (near 90°) causing H-bonds observed. also analyzed due their interesting carbonyl stretching bands infrared spectra. Considerable frequency separation for found. Correlation between nature position may provide opportunity use study substitution reactions regioisomerism related compounds.