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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| Format: | Article |
| Language: | English |
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Elsevier B.V.
2023
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| Online Access: | http://umpir.ump.edu.my/id/eprint/40949/1/Synthesis%2C%20crystal%20structure%20and%20Hirshfeld%20surface%20analysis.pdf |
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| author | 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 |
| author_facet | 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 |
| author_sort | Fatin Nur Ain, Abdul Rashid |
| collection | UMP |
| description | 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. |
| first_indexed | 2024-09-25T03:48:36Z |
| format | Article |
| id | UMPir40949 |
| institution | Universiti Malaysia Pahang |
| language | English |
| last_indexed | 2024-09-25T03:48:36Z |
| publishDate | 2023 |
| publisher | Elsevier B.V. |
| record_format | dspace |
| spelling | UMPir409492024-05-28T08:10:13Z http://umpir.ump.edu.my/id/eprint/40949/ 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 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 HD Industries. Land use. Labor Q Science (General) T Technology (General) 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. Elsevier B.V. 2023-10 Article PeerReviewed pdf en cc_by_4 http://umpir.ump.edu.my/id/eprint/40949/1/Synthesis%2C%20crystal%20structure%20and%20Hirshfeld%20surface%20analysis.pdf 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) https://doi.org/10.1016/j.cdc.2023.101064 https://doi.org/10.1016/j.cdc.2023.101064 |
| spellingShingle | HD Industries. Land use. Labor Q Science (General) T Technology (General) 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 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 |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | HD Industries. Land use. Labor Q Science (General) T Technology (General) |
| url | http://umpir.ump.edu.my/id/eprint/40949/1/Synthesis%2C%20crystal%20structure%20and%20Hirshfeld%20surface%20analysis.pdf |
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