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

Arto Valkonen, Katri Laihia, Erkki Kolehmainen, Reijo Kauppinen, P. Perjési

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

1H and 13C NMR chemical shifts have been determined and assigned based on PFG 1H, 13C HM⋯C, and HMBC experiments for 3-(4'-X-benzyl)-4-chromenones (Ia, X = CN and Ib, X = NO 2), 3-(4'-X-benzyl)-4-thiochromenones (IIa, X = Cl and IIb, X = Br), (E)-3-(4'-Xbenzylidene)- 4-chromanones (IIIa-IIIe, X = OCH 3, CH 3, Cl, N(CH 3) 2, Br), (Z)-3-(40-X-benzylidene)4- thiochromanones (IVa-IVd, 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 (IIIa-IIId), 1-tetrahydronaphtol (V), and 1-tetralones (VI and VII). The molecular features and intermolecular interactions in crystal state have been discussed.

Original languageEnglish
Pages (from-to)209-217
Number of pages9
JournalStructural Chemistry
Volume23
Issue number1
DOIs
Publication statusPublished - Feb 2012

Fingerprint

Tetralones
methylidyne
Chemical shift
chemical equilibrium
Crystal structure
Nuclear magnetic resonance
Derivatives
nuclear magnetic resonance
Crystals
crystal structure
crystals
Experiments
interactions
4-chromanone

Keywords

  • Homoisoflavonoid
  • NMR
  • Single crystal X-ray structure
  • Thiohomoisoflavonoid

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

Structural studies of seven homoisoflavonoids, six thiohomoisoflavonoids, and four structurally related compounds. / Valkonen, Arto; Laihia, Katri; Kolehmainen, Erkki; Kauppinen, Reijo; Perjési, P.

In: Structural Chemistry, Vol. 23, No. 1, 02.2012, p. 209-217.

Research output: Contribution to journalArticle

Valkonen, Arto ; Laihia, Katri ; Kolehmainen, Erkki ; Kauppinen, Reijo ; Perjési, P. / Structural studies of seven homoisoflavonoids, six thiohomoisoflavonoids, and four structurally related compounds. In: Structural Chemistry. 2012 ; Vol. 23, No. 1. pp. 209-217.
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