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Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenyl-sulfonyl-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. Intra-molecular C-H?O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, mol-ecules 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 inter-molecular inter-actions in the crystal structure.

SUBMITTER: Mohamooda Sumaya U

PROVIDER: S-EPMC6038642 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature

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

Mohamooda Sumaya U U Sankar E E Arasambattu MohanaKrishnan K K Biruntha K K Usha G G

Acta crystallographica. Section E, Crystallographic communications 20180605 Pt 7

In the title compound, C20H13NO2S2, the carbazole ring system forms a dihedral angle of 89.08 (1)° with the sulfonyl-substituted phenyl ring. Intra-molecular C-H⋯O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds forming inversion dimers with an R22(12) graph-set motif. Analysis of the Hirshfe ...[more]

PMID: 30002878

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