Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 6 (June 2005)

organic compounds

sk1835 scheme

Acta Cryst. (2005). C61, o386-o389 [doi:10.1107/S0108270105013661]

2',4'-Dihydroxy-3-methoxy-,-dihydrochalcone and 2',4-dihydroxy-,-dihydrochalcone: supramolecular structures formed by O-HO, C-HO and stacking interactions

J. Marek, K. Lunerová, J. Tousek, V. Suchý and R. Marek

Abstract: The crystal structures of 2',4'-dihydroxy-3-methoxy- [alpha] , [beta] -dihydrochalcone, C₁₆H₁₆O₄, and 2',4-dihydroxy- [alpha] , [beta] -dihydrochalcone, C₁₅H₁₄O₃, have been determined. In both compounds, the structure consists of two nearly planar six-membered aromatic rings connected by a propanal chain, which is bent in the methoxy compound and almost straight in the other compound. In the crystal structures, the molecular units of both compounds are linked by O-HO hydrogen bonds to form infinite one-dimensional chains. Hydrogen bonds and C-HO contacts in the crystal structures were studied by topological analysis of charge density based on Hartree-Fock calculations. Almost all of the investigated C-HO contacts should be characterized as weak hydrogen bonds.

Formula: C₁₆H₁₆O₄ and C₁₅H₁₄O₃


	Structure factor file (CIF format) (113.7 kbytes) Contains datablock I

	Structure factor file (CIF format) (104.0 kbytes) Contains datablock II

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