Synthesis, crystal structure and Hirshfeld surface analysis of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-1-methyl-5-oxo-2,5-dihydro- 1H-pyrrole-3-carboxylate

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Abstract

Ethyl 4 hydroxy-2-(4-hydroxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, C14H15NO5 (1) was synthesized via multicomponent reaction (MCR) of sodium diethyl oxalacetate, methylamine, and 4-hydroxybenzaldehyde. The structure of 1 was elucidated by using FT-IR, NMR and GCMS. These results were further confirmed by means of single crystal X-ray crystallography. The results showed that 1 was crystallized in orthorhombic space group Pca21 where a = 17.102(4), b = 9.923(2), c = 16.037(4), Å. The quantification of intermolecular interactions in the crystal structure was obtained by Hirshfeld surface analysis and showed that the H•••H contacts were the most dominant interactions.

Item Type: Article
Additional Information: Indexed by Scopus
Uncontrolled Keywords: 2,3-Dioxopyrrolidine; Crystal structure; Hirshfeld surface analysis; Multicomponent reaction; Pyrrolone
Subjects: H Social Sciences > HD Industries. Land use. Labor
Q Science > Q Science (General)
T Technology > T Technology (General)
Faculty/Division: Faculty of Industrial Sciences And Technology
Depositing User: Mr Muhamad Firdaus Janih@Jaini
Date Deposited: 28 May 2024 08:10
Last Modified: 28 May 2024 08:10
URI: http://umpir.ump.edu.my/id/eprint/40949
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