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- -phenyl-...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2020-05, Vol.25 (9), p.2235
Main Authors: 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
Format: Article
Language:English
Subjects:
Acetanilides - chemistry
acetoacetanilide
Acetoacetanilides
Crystal structure
Crystallography
Crystallography, X-Ray
Hirshfeld surface analysis
Hydrogen bonds
Malononitrile
Molecular Structure
multicomponent reaction
Piperidine
Reaction products
Structure-Activity Relationship
Surface analysis (chemical)
Surface Properties
X-ray analysis
X-ray crystallography
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Summary: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- -phenyl-4-(yridine-4-yl)-6-(thiophen-2-yl)-3,4-dihydro-2 -pyran-3-carboxamide , 5-cyano-2-hydroxy-2-methyl-6-oxo- -phenyl-4-(thiophen-2-yl)piperidine-3-carboxamide and 2-(8-amino-7,8a-dicyano-1-imino-4a-methyl-3-oxo-2-phenyl-1,3,4,4a,5,8a-hexahydroisoquinolin-6(2 )-ylidene)- -phenylacetamide .
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules25092235