Work

Synthesis, crystal structure and Hirshfeld surface analysis of (3a SR ,10 RS ,10a RS )-2-(4-iodophenyl)-1-oxo-5-tosyl-1,2,3,3a,4,5,10,10a-octahydropyrrolo[3,4- b ]carbazole-10-carboxylic acid–ethanol (4/1)

Year: 2025

Type: article

Abstract: The asymmetric unit of the title compound, 4C 28 H 23 IN 2 O 5 S·C 2 H 6 O, contains two crystallographically independent molecules and an ethanol solvent molecule. In the crystal, O—H...O and C—H...O hydrogen bonds link the molecules into a three-dimensional architecture, enclosing R 4 4 (23) ring motifs. C—H...π(ring) interactions and the π–π stacking between the parallel rings help to consolidate the packing. Hirshfeld surface analysis reveals that the most important contributions to the crystal packing are from H...H (36.1% and 38.5%), H...O/O...H (23.7% and 22.1%), H...C/C...H (20.0% and 16.1%) and H...I/I...H (6.4% and 10.1%) interactions.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025011582