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Hydrogen-bonding and C-H...pi interactions in 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione(tetrahydrocurcumin)

Girija, CR and Begum, Noor Shahina and Syed, Akheel Ahmed and Thiruvenkatam, Vijay (2004) Hydrogen-bonding and C-H...pi interactions in 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione(tetrahydrocurcumin). In: Acta Crystallographica Section C-crystal Structure Communications, 60 (Part 8). O611-O613.

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The title compound, $C_{{21}H_{24}O_{6}}$, is the reduced form of curcumin, and exhibits important cosmoceutical properties. The molecule is non-planar and the benzene rings positioned at the ends of the heptane chain are orthogonally placed, with a dihedral angle of 84.09$(7)^{\mathrm{0}}$ between them. The molecular geometry and H-atom locations reveal that the 'heptane-3,5-dione' moiety exists in the keto-enol form, with the hydroxy H atom disordered over two adjacent sites. The packing of the molecules in the lattice is directed by strong O-H...O intermolecular hydrogen bonds, which generate two-dimensional sheets. These sheets arelinked by C-H...O hydrogen bonds and weak C-H... interactions to develop a three-dimensional network.

Item Type: Journal Article
Additional Information: Copyright for this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Depositing User: Nanjunda M Swamy
Date Deposited: 06 Dec 2004
Last Modified: 05 Jan 2012 09:51
URI: http://eprints.iisc.ac.in/id/eprint/22

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