Synthesis, crystal structure and Hirshfeld surface analysis of 7-oxo-6-phenyl-6,7-di-hydro-5<i>H</i>-thieno[2,3-<i>f</i>]iso-indole-8-carb-oxy-lic acid.

ABSTRACT: In the title compound, C₁₇H₁₁NO₃S, the thieno[2,3-f]iso-indole ring system and the phenyl ring are oriented at a dihedral angle of 20.57 (13)°. The strong intra-molecular O-H⋯O hydrogen bond partly ensures the coplanarity of the carboxyl group and the ring system. In crystal, the mol-ecules are linked through C-H⋯O hydrogen bonds, enclosing R ² ₂(14) ring motifs, into a three-dimensional architecture. π-π inter-actions between parallel five-membered and phenyl rings [centroid-to-centroid distances of 3.564 (3) and 3.591 (3) Å] further contribute to the cohesion of the crystal structure. The Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (35.5%), H⋯O/O⋯H (21.

SUBMITTER: Shelukho ER 

PROVIDER: S-EPMC12589846 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature