• X-ray study of weak interactions in two flavonoids

• # Fulltext

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 &lt; 2.7 Å. The molecules are further stabilized by 𝜋–𝜋 interactions.

• # Author Affiliations

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

• # Bulletin of Materials Science

Volume 43, 2020
All articles
Continuous Article Publishing mode

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019