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

7-氧代-6-苯基-6,7-二氢-5H-噻吩并[2,3-f]异吲哚-8-羧酸的合成、晶体结构和Hirshfeld表面分析

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Abstract

In the title compound, C(17)H(11)NO(3)S, 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 (21.3%), C⋯C (14.1%) and H⋯C/C⋯H (12.8%) inter-actions.

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