2-Pirazolin ve Hidrazon Yapısı İçeren Bazı Organik Moleküllerin Yapılarının X-Işını Kristalografisi ve Kuramsal Hesaplama Yöntemleriyle İncelenmesi

Abstract

1-[2-(5-Chloro-2-benzoxazolinone-3-yl)]acetyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole(C24H18ClN3O3), 1-[2-(2-Benzoxazolinone-3-yl)]acetyl-3-(4-metoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole (C25H21N3O4) and N -[1-(2-Metoxyphenyl)-3-(2-Chlorophenyl)allilydene]-2-(5-Chloro-2-benzoxazolinone-3-yl)acetohydrazide (C25H19Cl2O4N3) which promising for the treatment of psychiatric and neurodegenerative diseases, were synthesized in order to achieve new and effective MAO inhibitors, single crystals structure analysis are investigated by X-ray diffraction method. The unit cell dimensions of the crystals, crystal systems and space groups have been determined.In the second part, In order to see how single bonds affects the conformation of all the molecules the potential energy surface curves evaluated using semi-experimental methods. Conformational analysis was performed in order to obtain different conformations.