Intermolecular interactions in crystal structure, Hirshfeld surface, characterization, DFT and thermal analysis of 5-((5-bromo-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione indole
- Publication Type
- Original research
- Authors
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Condensation reaction of 5-bromo-1H-indole-3-carbaldehyde and 1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione in ethanol under reflux conditions furnished the formation of 5-((5-bromo-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione indole in a very good yield. The desired compound is characterized by spectroscopic and thermal tools, additionally the structure was confirmed by X-ray single crystal diffraction. Visually analysis of desired crystal structure using Hirshfeld surface revealed several short intermolecular connections on the molecule surface while the 2D finger-print draw evaluated the atom-to-atom interactions percentages.
Journal
- Title
- Journal of Molecular Structure
- Publisher
- Elsevier
- Publisher Country
- Netherlands
- Indexing
- Thomson Reuters
- Impact Factor
- 1.78
- Publication Type
- Prtinted only
- Volume
- 1137
- Year
- 2017
- Pages
- 354-361