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

Fatin Nur Ain, Abdul Rashid and Siti Syaida, Syaida Sirat and Husna Izzati, Muhammad Nor Azharan and Muhamad Zulfaqar, Bacho and Slawin, Alexandra M.Z. and Mohd Fazli, Mohammat and Mohd Fadhlizil Fasihi, Mohd Aluwi and Nor Saliyana, Jumali and Mohd Abdul Fatah, Abdul Manan (2023) 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. Chemical Data Collections, 47 (101064). pp. 1-10. ISSN 2405-8300. (Published)

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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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