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      https://www.ias.ac.in/article/fulltext/boms/030/05/0469-0475

    • Keywords

       

      Flavonoid; direct methods; C–H$\ldots \pi$ hydrogen bond; 𝜋–𝜋 interaction; gauche; benzopyran.

    • Abstract

       

      X-ray diffraction studies were carried out on single crystals of two flavonoids, viz. 5-hydroxy-6,7,4′-trimethoxyflavone, C18H16O6, (I) and 5-hydroxy-3,7,4′-trimethoxyflavone, C18H16O6, (II). Crystal structures of both the flavonoids were solved by direct methods and refined by full-matrix least-squares procedures. In both the molecules, the benzopyran moiety is planar. The dihedral angle between the phenyl ring and the benzopyran portion is 5.50(4)° in (I) and 29.11(5)° in (II). In (I), the crystal packing is influenced by O–H…O hydrogen bonds, and weak C–H…O and $\pi \ldots \pi$ interactions whereas in (II) the crystal structure is stabilized by the presence of four intermolecular short contacts of the type C–H…O. There is also one C–H$\ldots \pi$ hydrogen bond with H… centroid distance of < 2.7 Å. The molecules are further stabilized by 𝜋–𝜋 interactions.

    • Author Affiliations

       

      Deepak Sharma1 Vivek K Gupta1 Goutam Brahmachari2 Sadhan Mondal2 Arindam Gangopadhyay2

      1. Post Graduate Department of Physics, University of Jammu, Jammu Tawi 180 006, India
      2. Department of Chemistry, Visva Bharati University, Santiniketan 731 235, India
    • Dates

       
  • Bulletin of Materials Science | News

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