| Literature DB >> 34164148 |
Eman M Sayed1, Reda Hassanien1, Shaaban K Mohamed2,3, Joel T Mague4, Mehmet Akkurt5, Nasser Farhan1, Etify A Bakhite6, Safiyyah A H Al-Waleedy7.
Abstract
The title mol-ecule, C29H29N3O4S, adopts a conformation with the two phenyl substituents disposed on opposite sides of the mean plane of the iso-quinoline unit. In the crystal, corrugated layers of mol-ecules are formed by N-H⋯O, C-H⋯N and C-H⋯S hydrogen bonds together with C-H⋯π(ring) inter-actions. These layers are connected by C-H⋯O contacts. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (45.2%), C⋯H/H⋯C (20.2%), O⋯H/H⋯O (15.8%) and N⋯H/H⋯N (11.0%) inter-actions. © Sayed et al. 2021.Entities:
Keywords: C—H⋯π(ring) interaction; amide; crystal structure; hydrogen bond; tetrahydroisoquinoline
Year: 2021 PMID: 34164148 PMCID: PMC8183441 DOI: 10.1107/S2056989021005430
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun