| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1403930 | Journal of Molecular Structure | 2011 | 8 Pages |
Abstract
⺠A merocyanine dye with isoxazolone nucleus was synthesized. ⺠The dye crystallizes in the P21/n space group with four molecules per unit cell. ⺠The hydrogen bonds and Ïâ¯Ï aromatic stacking interactions exist in the crystal. ⺠MEP shows the hydrogen bonds are formed between the positive and negative regions. ⺠NMR spectra obtained by DFT/GIAO are in good agreement with the experimental values.
Related Topics
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Organic Chemistry
![Synthesis and structural studies of 4-[(5-methoxy-1H-indole-3-yl)-methylene]-3-methyl-isoxazole-5-one by X-ray crystallography, NMR spectroscopy, and DFT calculations](/preview/png/1403930.png "First Page Preview: Synthesis and structural studies of 4-[(5-methoxy-1H-indole-3-yl)-methylene]-3-methyl-isoxazole-5-one by X-ray crystallography, NMR spectroscopy, and DFT calculations")
Authors
X.H. Zhang, L.Y. Wang, Y.H. Zhan, Y.L. Fu, G.H. Zhai, Z.Y. Wen,