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
Bahjat A. Saeed, Kawkab Y. Saour, Rita S. Elias and Deng Xiaodi
DOI : 10.3844/ajassp.2010.929.932
American Journal of Applied Sciences
Volume 7, Issue 7
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 Å b = 12.8162 Å, c = 11.5231 Å, α = 90.000°, β= 99.0401°,γ = 90.000°; cell volume = 1967.85Å3 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.
© 2010 Bahjat A. Saeed, Kawkab Y. Saour, Rita S. Elias and Deng Xiaodi. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.