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

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

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 result...

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Bibliographic Details
Main Authors: Fatin Nur Ain, Abdul Rashid, Siti Syaida, Syaida Sirat, Husna Izzati, Muhammad Nor Azharan, Muhamad Zulfaqar, Bacho, Slawin, Alexandra M.Z., Mohd Fazli, Mohammat, Mohd Fadhlizil Fasihi, Mohd Aluwi, Nor Saliyana, Jumali, Mohd Abdul Fatah, Abdul Manan
Format: Article
Language:English
Published: Elsevier B.V. 2023
Subjects:
HD Industries. Land use. Labor
Q Science (General)
T Technology (General)
Online Access:http://umpir.ump.edu.my/id/eprint/40949/1/Synthesis%2C%20crystal%20structure%20and%20Hirshfeld%20surface%20analysis.pdf
Description
Summary: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.

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