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Structural study of three heteroaryl oximes, heteroaryl-N=OH: Compounds forming strong C3 molecular chains
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Orientador(es)
Resumo(s)
In order to further investigate the structural chemistry of oximes and to further establish the
main structural arrangements adopted, we have determined the crystal structure of and
carried out Hirshfeld surface calculations on three heteroaryl oximes, namely (Z)-thiophene2-carbaldehyde oxime (1), (Z)-1H-pyrrole-2 carbaldehyde oxime (2) and (Z)-5-nitrofuran-2-
carbaldehyde oxime (3). As confirmed by both techniques, the major intermolecular
interactions in each compound are classical N—H···O hydrogen bonds, which link the
molecules into C3 chains. Such an arrangement has been previous reported as an important
aggregation mode for oximes. Secondary interactions, C—H···π and C—H···O interactions, in
compounds 1 and 2, and interactions involving the nitro group oxygen atoms in compound 3
link the chains into three dimensional arrays.
Descrição
Palavras-chave
Oximes Hydrogen bonds X-ray crystallography Molecular interactions Heteroaryl compounds Hirshfeld surface calculations
Contexto Educativo
Citação
Editora
Eurochem Publishing