Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy-droxy-8-(4-meth-oxyphen-yl)-1,6-dimethyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl-]sulfan-yl}acetic acid ethyl ester

Elham A Al-Taifi; Islam S Marae; Yasser A El-Ossaily; Shaaban K Mohamed; Joel T Mague; Mehmet Akkurt; Etify A Bakhite

doi:10.1107/S2056989022000378

Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy-droxy-8-(4-meth-oxyphen-yl)-1,6-dimethyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl-]sulfan-yl}acetic acid ethyl ester

Acta Crystallogr E Crystallogr Commun. 2022 Jan 25;78(Pt 2):220-224. doi: 10.1107/S2056989022000378. eCollection 2022 Jan 1.

Authors

Elham A Al-Taifi¹, Islam S Marae², Yasser A El-Ossaily³, Shaaban K Mohamed^{4

5}, Joel T Mague⁶, Mehmet Akkurt⁷, Etify A Bakhite²

Affiliations

¹ Chemistry Department, Faculty of Science, Sana'a University, Sana'a, Yemen.
² Chemistry Department, Faculty of Science, Assiut University, 71516 Assiut, Egypt.
³ Chemistry Department, College of Science, Jouf University, PO Box 2014.Sakaka, Saudi Arabia.
⁴ Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England.
⁵ Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
⁶ Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
⁷ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

Abstract

In the title mol-ecule, C₂₅H₂₈N₂O₅S, (alternative name ethyl 2-{[7-acetyl-4-cyano-6-hy-droxy-8-(4-meth-oxy-phen-yl)-1,6-dimethyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl]sulfanyl}-acetate) the 4-meth-oxy-phenyl 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) inter-actions.

Keywords: C—H⋯π(ring); crystal structure; ethyl ester; hydrogen bond; tetrahydroisoquinoline.