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Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetic acid ethyl ester

Authors :
Elham A. Al-Taifi
Islam S. Marae
Yasser A. El-Ossaily
Shaaban K. Mohamed
Joel T. Mague
Mehmet Akkurt
Etify A. Bakhite
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 2, Pp 220-224 (2022)
Publication Year :
2022
Publisher :
International Union of Crystallography, 2022.

Abstract

In the title molecule, C25H28N2O5S, (alternative name ethyl 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate) the 4-methoxyphenyl group is disposed on one side of the bicyclic core and the oxygen atoms of the hydroxyl and acetyl groups are disposed on the other side. In the crystal, a layered structure parallel to the ac plane is generated by O—H...O and C—H...O hydrogen bonds plus C—H...π(ring) interactions.

Details

Language :
English
ISSN :
20569890
Volume :
78
Issue :
2
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.1b3135dd48184df2a685a5639e2b0ca3
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989022000378