Liu, Y. published the artcileSYNTHESIS AND CHARACTERIZATION OF A NEW COMPOUND 4-(2-CHLOROBENZYL)IMIDAZO[1,2-a] QUINAZOLIN-5(4H)-ONE: DFT STUDY, CRYSTAL STRUCTURE, MEP, AND HOMO-LUMO VALUES, Category: alcohols-buliding-blocks, the main research area is chlorobenzyl imidazolequinazolinone preparation crystal structure DFT.
The new 4-(2-chlorobenzyl)imidazole[1,2-a]quinazolin-5(4H)-one compound was designed, synthesized and used 1H and 13C NMR, FTIR spectroscopy and MS to determine its structure. In addition, the structure of the single crystal was confirmed using X-ray diffraction. The optimal structure of the compound was calculated by DFT using the B3LYP functional group (based on 6-311G(2d,p)) and compared with the structure determined by X-ray diffraction. The results show that the crystal structure determined by X-ray diffraction was consistent with the mol. structure optimized using DFT.
Journal of Structural Chemistry published new progress about Crystal structure. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Category: alcohols-buliding-blocks.
Referemce:
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