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Synthesis, structural characterization and conformational aspects of nostoclide analogues |
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| Authors: | RR Teixeira LCA Barbosa JWde M Carneiro J Ellena |
| Institution: | a Department of Chemistry, Federal University of Viçosa, Avenida P.H. Rolfs, CEP 36570-000, Viçosa, MG, Brazil b Chemistry Department, Federal University of Minas Gerais, Avenida Antônio Carlos, 6627, CEP 31270-9001, Belo Horizonte, MG, Brazil c Inorganic Chemistry Department, Fluminense Federal University, Outeiro de São João Batista, s/n, Centro, CEP 24020-141, Niterói, RJ, Brazil d São Carlos Physics Institute - USP, Cx. postal 369, CEP 13560-970, São Carlos, SP, Brazil e Department of Exact Science, Federal University of Alfenas, Rua Gabriel Monteiro da Silva, 700, CEP 37130-000, Alfenas, MG, Brazil |
| Abstract: | 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. |
| Keywords: | Nostoclide analogues γ-Alkylidenebutenolides DFT calculation X-ray analysis Herbicides |
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