1251632-74-2Relevant academic research and scientific papers
The synthesis of some new imidazole and triazole derivatives: Crystal Structure and DFT-TDDFT investigation on electronic structure
Sancak, Kemal,ünver, Yasemin,Tanak, Hasan,De?irmencio?lu, Ismail,Dügdü, Esra,Er, Mustafa,I?ik, ?amil
, p. 325 - 334 (2010)
A series of new N′-3-(1H-imidazol-1-yl)propylcarbamoyl-4-halogenebenzo hydrazonate (3a-b) were obtained by reaction Ethyl 2-((4-halogene phenyl) (ethoxy) methylene) hydrazinecarboxylate (1) and N-(3-aminopropyl)imidazole (2) at 120-140 °C. Compounds (4a-b) were obtained by the reaction compound 1 and N-(3-aminopropyl)imidazole (2) at 160-180 °C. The structures of compounds 3,4 have been inferred through UV-Vis, IR, 1H/13C NMR, mass spectrometry, elemental analyses, and X-ray crystallography. DFT level 6-31G (d) calculations provided structural information. The electronic structure of compound 3a has been studied by DFT level 6-31G (d) calculations using the X-ray data. The results are accordance with X-ray data. Springer Science+Business Media B.V. 2009.
