Title of article :
Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Author/Authors :
Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Marae, Islam S. Chemistry Department - Faculty of Science - Assiut University, Egypt , Mague, Joel T. Department of Chemistry - Tulane University, USA , Mohamed, Shaaban K. Chemistry and Environmental Division - Manchester Metropolitan University, England , Bakhite, Etify A. Chemistry Department - Faculty of Science - Assiut University, Egypt , Al-Waleedy, Safiyyah A. H. Department of Chemistry - Faculty of Science - Taiz University, Taiz, Yemen
Abstract :
In the title molecule, C28H25Cl2N3O3S, the heterocyclic portion of the tetrahydroisoquinoline unit is planar while the cyclohexene ring adopts a twist-boat conformation. The two 4-chlorophenyl groups extend away from one side of this unit while the hydroxyl and acetyl groups extend away from the opposite side and form an intramolecular O—H⋯O hydrogen bond. The crystal packing consists of layers parallel to the bc plane. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (37.3%), Cl⋯H/H⋯Cl (17.6%), O⋯H/H⋯O (11.1%), C⋯H/H⋯C (10.9%) and N⋯H/H⋯N (9.7%) interactions.
Keywords :
Hirshfeld surface analysis , crystal structure , tetrahydroisoquinoline , twist-boat conformation , hydrogen bond
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
