Work

Synthesis and structure of (3a RS ,10 SR ,10a SR )-2-(4-chlorophenyl)-5-[(4-methylphenyl)sulfonyl]-1-oxo-1,2,3,3a,4,5,10,10a-octahydropyrrolo[3,4- b ]carbazole-10-carboxylic acid with an unknown solvent

Year: 2026

Type: article

Abstract: The title compound, C 28 H 23 ClN 2 O 5 S, crystallizes with two independent molecules ( A and B ) in the asymmetric unit. In the central fused ring systems, the pyrrolidine rings adopt envelope conformations and the cyclohexene rings adopt distorted-half chair conformations. In molecules A and B , the least-squares mean planes of the sixteen-membered central ring systems form dihedral angles of 81.5 (1) and 84.0 (1)°, respectively, with the benzene rings attached to the sulfanyl groups, while they make dihedral angles of 18.6 (1) and 7.7 (1)°, respectively, with the chlorobenzene rings. In the crystal, O—H...O hydrogen bonds and weak C—H...O and C—H...Cl interactions link the molecules, forming a three-dimensional network. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015). Acta Cryst . C71, 9–18] in PLATON . The solvent contribution was not included in the reported molecular weight and density. A Hirshfeld surface analysis indicates that H...H (36.8% for molecule A ; 29.8% for molecule B ), O...H/H...O (22.1% for A and 27.3% for B ), C...H/H...C (22.1% for A and 20.2% for B ) and Cl...H/H...Cl (9.7% for A and 13.2% for B ) interactions are the most important contributors to the crystal packing.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989026003762