Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate

Abstract

In the title compound, C25H22N2O3S·0.04H2O, the central cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by N—H...O, C—H...O, and C—H...N hydrogen bonds, forming the molecular layers parallel to the bc plane, which interact by the van der Waals forces between them. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H...H (41.2%), C...H/H...C (20.3%), O...H/H...O (17.8%) and N...H/H...N (10.6%).

Keywords

• crystal structure
• cyclocondensation product
• 1,2,7,8-tetrahydroisoquinoline ring system
• hirshfeld surface analysis