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
Acta Crystallographica Section E: Crystallographic Communications, vol.78, pp.220-224, 2022 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 78
- Publication Date: 2022
- Doi Number: 10.1107/s2056989022000378
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.220-224
- Keywords: crystal structure, tetrahydroisoquinoline, ethyl ester, hydrogen bond, C-H center dot center dot center dot pi(ring), ANALOGS
- Open Archive Collection: AVESIS Open Access Collection
- Kayseri University Affiliated: No
Abstract
© 2022.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.