Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy-droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl)sulfan-yl]- N-phenyl-acetamide

Elham A Al-Taifi; Islam S Maraei; Etify A Bakhite; Güneş Demirtas; Joel T Mague; Shaaban K Mohamed; Youssef Ramli

doi:10.1107/S2056989021000372

Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy-droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl)sulfan-yl]- N-phenyl-acetamide

Acta Crystallogr E Crystallogr Commun. 2021 Jan 15;77(Pt 2):121-125. doi: 10.1107/S2056989021000372. eCollection 2021 Feb 1.

Authors

Elham A Al-Taifi¹, Islam S Maraei², Etify A Bakhite², Güneş Demirtas³, Joel T Mague⁴, Shaaban K Mohamed^{5

6}, Youssef Ramli⁷

Affiliations

¹ Department of Chemistry, Faculty of Science, Sana'a University, Sana'a, Yemen.
² Department of Chemistry, Faculty of Science, Assiut University, Assiut, Egypt.
³ Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Samsun, Turkey.
⁴ Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
⁵ Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England.
⁶ Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
⁷ Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco.

Abstract

In the title mol-ecule, C₂₈H₂₇N₃O₃S, the heterocyclic portion of the tetra-hydro-iso-quinoline unit is planar and an intra-molecular N-H⋯N hydrogen bond and a C-H⋯π(ring) inter-action help to determine the overall conformation. In the crystal, a layer structure with the layers parallel to (10) is generated by O-H⋯O and C-H⋯O hydrogen bonds.

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

Grants and funding

This work was funded by National Science Foundation grant 1228232. Tulane University grant .