Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole

Abstract

In the title compound, C20H13NO2S2, the carbazole ring system forms a dihedral angle of 89.08 (1)° with the sulfonyl-substituted phenyl ring. Intramolecular C—H...O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, molecules are linked via pairs of C—H...O hydrogen bonds forming inversion dimers with an R22(12) graph-set motif. Analysis of the Hirshfeld surfaces and two-dimensional fingerprint plots was used to explore the distribution of weak intermolecular interactions in the crystal structure.

Keywords

• crystal structure
• carbazole
• Hirshfeld surface analysis
• two-dimensional fingerprint plot
• energy frameworks