Crystal Structure of 2-(4-Hydroxy-3-Methoxyphenyl)-6- (4-Hydroxy-3-Methoxystyryl)-1-Methyl-2, 3-Dihydropyridine-4 (1H)-One by X-Ray Powder Diffraction | Science Publications

American Journal of Applied Sciences

Kawkab Y. Saour¹  Bahjat A. Saeed¹  Rita S. Elias¹  Deng Xiaodi¹ 

关键词: Dihydropyridone;    x-ray powder diffraction;    rietveld refinement;    PowderSolve;    treor;   

DOI  :  10.3844/ajassp.2010.929.932

学科分类：自然科学（综合）

来源: Science Publications

【 摘 要 】

Problem statement: The studied dihydropyridone was synthesized for the first time via the microwave assisted reaction of curcumin and methylamine and it is important to support the mechanism by the crystal structure. Approach: The crystal structure of the title compound was determined using high resolution x-ray diffraction. PowderSolve program was used to solve the structure while the refinement was done in material studio Reflex module. Results: The findings obtained with high-resolution x-ray powder diffraction and molecular location methods based on simulated annealing algorithm after Rietveld refinement showed that the monoclinic unit cell was a = 13.4925 ? b = 12.8162 ?, c = 11.5231 ?, ? = 90.000?, ?= 99.0401?,? = 90.000?; cell volume = 1967.85?³ and space group P 21/a with 4 molecules in a unit cell. Conclusion/Recommendations: Powder diffractometry could be a powerful tool for determining crystal structures for organic molecules.

【 授权许可】

Unknown