X-ray study of weak interactions in two flavonoids

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-squ...

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Bibliographic Details
Published in:Bulletin of materials science 2007-10, Vol.30 (5), p.469-475
Main Authors: Sharma, Deepak, Gupta, Vivek K., Brahmachari, Goutam, Mondal, Sadhan, Gangopadhyay, Arindam
Format: Article
Language:English
Subjects:
Bonding strength
Centroids
Crystal structure
Diffraction
Dihedral angle
Flavonoids
Hydrogen bonds
Least squares method
Phenyls
Single crystals
X-rays
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Summary: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 π…π 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…π hydrogen bond with H… centroid distance of
ISSN:0250-4707
0973-7669
DOI:10.1007/s12034-007-0074-x