Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hydroxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide

Abstract

In the title molecule, C28H27N3O3S, the heterocyclic portion of the tetrahydroisoquinoline unit is planar and an intramolecular N—H...N hydrogen bond and a C—H...π(ring) interaction help to determine the overall conformation. In the crystal, a layer structure with the layers parallel to (10\overline{1}) is generated by O—H...O and C—H...O hydrogen bonds.

Keywords

• crystal structure
• tetrahydroisoquinoline
• phenylacetamide
• hydrogen bond
• c—h...π(ring) interaction