, Volume 23, Issue 1, pp 209-217
Date: 24 Aug 2011

Structural studies of seven homoisoflavonoids, six thiohomoisoflavonoids, and four structurally related compounds

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1H and 13C NMR chemical shifts have been determined and assigned based on PFG 1H, 13C HMQC, and HMBC experiments for 3-(4′-X-benzyl)-4-chromenones (Ia, X = CN and Ib, X = NO2), 3-(4′-X-benzyl)-4-thiochromenones (IIa, X = Cl and IIb, X = Br), (E)-3-(4′-X-benzylidene)-4-chromanones (IIIaIIIe, X = OCH3, CH3, Cl, N(CH3)2, Br), (Z)-3-(4′-X-benzylidene)4-thiochromanones (IVaIVd, X = Cl, Br, F, OCH3), 2-benzyl-1,2,3,4-tetrahydro-1-naphthol (V), 2-benzyl- and (E)-2-benzylidene-1-tetralones (VI and VII), and (E)-2-benzylidene-1-benzosuberol (VIII). The crystal structures have been determined for the following seven compounds: derivatives of 4-chromanones (IIIaIIId), 1-tetrahydronaphtol (V), and 1-tetralones (VI and VII). The molecular features and intermolecular interactions in crystal state have been discussed.

This article is dedicated to the memory of Prof. emer. Jaakko Paasivirta (1931–2011), a friend and colleague, whose contributions to early steps in NMR chemistry in Finland and later to environmental chemistry and toxicology were outstanding. Also, his devotion to research issues was exemplary.