Crystal structure and Hirshfeld surface analysis of (3a<i>RS</i>,4<i>RS</i>,10<i>SR</i>,10a<i>SR</i>)-2-(3,5-di-methyl-phen-yl)-4-hy-droxy-10-methyl-1-oxo-2,3,3a,4,10,10a-hexa-hydro-1<i>H</i>-[1]benzofuro[2,3-<i>f</i>]iso-indole-10-carb-oxy-lic acid di-methyl-formamide monosolvate.

ABSTRACT: The mol-ecular conformation of the title compound, C₂₄H₂₃NO₅·C₃H₇NO, is consolidated by intra-molecular C-H⋯O O-H⋯O hydrogen bonds, forming an S(6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the mol-ecules form layers parallel to the (102) plane by C-H⋯π inter-actions. Important inter-molecular inter-actions highlighted by Hirshfeld surface analysis are H⋯H (54.7%), O⋯H/H⋯O (23.0%), and C⋯H/H⋯C (19.9%) contacts.

SUBMITTER: Yakovleva ED 

PROVIDER: S-EPMC12412706 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature