Synthesis, structural characterization and conformational aspects of nostoclide analogues

The synthesis and structural analysis of a set of nostoclide analogues with potential herbicide activity is described. The influence of intra- and intermolecular hydrogen bonding, as well as other interactions on the conformation and packing of the compounds is thoroughly described using DFT calcula...

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Published inJournal of molecular structure Vol. 917; no. 1; pp. 1 - 9
Main Authors Teixeira, R.R., Barbosa, L.C.A., Carneiro, J.W.de M., Corrêa, R.S., Ellena, J., Doriguetto, A.C.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 09.01.2009
Subjects
DFT calculation
Diffraction
Herbicides
Nostoclide analogues
X-ray analysis
γ-Alkylidenebutenolides
DFT calculation
Herbicides
γ-Alkylidenebutenolides
X-ray analysis
Nostoclide analogues
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Summary:The synthesis and structural analysis of a set of nostoclide analogues with potential herbicide activity is described. The influence of intra- and intermolecular hydrogen bonding, as well as other interactions on the conformation and packing of the compounds is thoroughly described using DFT calculations and single crystal X-ray diffraction analyses. All lactones exhibited the Z configuration as confirmed by NOESY experiments and by single crystal X-ray diffraction measurements.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2008.06.019