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7-Methyl-5-[(4-methyl-benzene)-sulfon-yl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis.

Akbar AliJulio Zukerman-SchpectorMárcio Weber PaixãoMukesh M JotaniEdward R T Tiekink
Published in: Acta crystallographica. Section E, Crystallographic communications (2018)
In the title indole derivative, C17H15NO4S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 Å] and is effectively perpendicular to the appended 4-tolyl ring, forming a dihedral angle of 89.95 (6)°. Overall, the mol-ecule has the shape of the letter L. In the crystal, supra-molecular layers in the ab plane are formed via weak 4-tolyl-C-H⋯π(C6-ring of indole) and S-O⋯π(1,3-dioxole) contacts. The aforementioned inter-actions along with inter-atomic H⋯H and H⋯O contacts are all shown to make significant contributions to the calculated Hirshfeld surfaces.
Keyphrases
  • crystal structure
  • high resolution
  • cystic fibrosis
  • escherichia coli
  • mass spectrometry
  • water soluble
  • electron microscopy
  • solid state