Crystal Structure and Hirshfeld Surface Analysis of Acetoacetanilide Based Reaction Products

We report an unprecedented multicomponent reaction of acetoacetanilide with malononitrile leading to a structurally novel bicyclic product (9) in a high yield. The structure has been confirmed by X-ray crystallography and comparative Hirshfeld surface analysis of 5-cyano-2-hydroxy-2-methyl-N-phenyl-...

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Detalles Bibliográficos
Autores principales: Naghiyev, Farid N., Cisterna, Jonathan, Khalilov, Ali N., Maharramov, Abel M., Askerov, Rizvan K., Asadov, Khammed A., Mamedov, Ibrahim G., Salmanli, Khaver S., Cárdenas, Alejandro, Brito, Ivan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7248728/
https://www.ncbi.nlm.nih.gov/pubmed/32397450
http://dx.doi.org/10.3390/molecules25092235
Descripción
Sumario:We report an unprecedented multicomponent reaction of acetoacetanilide with malononitrile leading to a structurally novel bicyclic product (9) in a high yield. The structure has been confirmed by X-ray crystallography and comparative Hirshfeld surface analysis of 5-cyano-2-hydroxy-2-methyl-N-phenyl-4-(yridine-4-yl)-6-(thiophen-2-yl)-3,4-dihydro-2H-pyran-3-carboxamide 2, 5-cyano-2-hydroxy-2-methyl-6-oxo-N-phenyl-4-(thiophen-2-yl)piperidine-3-carboxamide 4 and 2-(8-amino-7,8a-dicyano-1-imino-4a-methyl-3-oxo-2-phenyl-1,3,4,4a,5,8a-hexahydroisoquinolin-6(2H)-ylidene)-N-phenylacetamide 9.

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