Synthesis, crystal structure and Hirshfeld surface analysis of (3aSR,10RS,10aRS)-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)

Yakovleva, Elizaveta; Gurbanov, Atash; Khrustalev, Victor; Al-Douh, Mohammed; Hökelek, TUNCER; Hasanov, Khudayar; Litvinov, Roman

doi:10.1107/s2056989025011582

Synthesis, crystal structure and Hirshfeld surface analysis of (3aSR,10RS,10aRS)-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)

Yakovleva E. D., Gurbanov A. V., Khrustalev V. N., Al-Douh M. H., Hökelek T., Hasanov K. I., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.82, pp.126-131, 2026 (ESCI, Scopus)

Publication Type: Article / Article
Volume: 82
Publication Date: 2026
Doi Number: 10.1107/s2056989025011582
Journal Name: Acta Crystallographica Section E: Crystallographic Communications
Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
Page Numbers: pp.126-131
Keywords: carbazole, crystal structure, Hirshfeld surface analysis, pyrrolo ring
Hacettepe University Affiliated: Yes

Abstract

The asymmetric unit of the title compound, 4C28H23IN2O5S·C2H6O, 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 R44(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.