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Ethyl 5-Formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and DFT Calculation
- Source :
- Molbank. 2022:M1340
- Publication Year :
- 2022
- Publisher :
- MDPI AG, 2022.
-
Abstract
- For the first time, 5-formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate was synthesized via a two-step scheme. The molecular structure of the compound was determined by a single-crystal X-ray diffraction analysis. The Hirshfeld surface analysis was used to study various intermolecular interactions. The crystalline structure is marked by the presence of three types of π-interactions (n→π*, lp···π, and π···π) between the -C(H)=O group and triazole rings. The compound is a versatile polyfunctional building block for construction of annulated 1,2,3-triazoles.
- Subjects :
- Organic Chemistry
Physical and Theoretical Chemistry
Biochemistry
Subjects
Details
- ISSN :
- 14228599
- Volume :
- 2022
- Database :
- OpenAIRE
- Journal :
- Molbank
- Accession number :
- edsair.doi...........2529af8604876136496a56ca25368d60