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(E)-Ethyl 2-cyano-3-[5-nitro-2-(pyrrolidin-1-yl)phenyl]acrylate
The title compound, C(16)H(17)N(3)O(4), was prepared by the reaction of 5-nitro-2-(pyrrolidin-1-yl)benzaldehyde and ethyl cyanoacetate. The molecular structure adopts an E conformation with respect to the C=C double bond. The five-membered ring has a half-chair conformation, with puckering paramet...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983149/ https://www.ncbi.nlm.nih.gov/pubmed/21587494 http://dx.doi.org/10.1107/S1600536810033374 |
Sumario: | The title compound, C(16)H(17)N(3)O(4), was prepared by the reaction of 5-nitro-2-(pyrrolidin-1-yl)benzaldehyde and ethyl cyanoacetate. The molecular structure adopts an E conformation with respect to the C=C double bond. The five-membered ring has a half-chair conformation, with puckering parameters Q(2)= 0.399 (2) Å and ϕ = 93.1 (3)°. In the crystal, inversion dimers , linked by pairs of C—H⋯O interactions, are further connected through C—H⋯N hydrogen bonds. Weak slipped π-π interactions occur between symmetry-related benzene rings [centroid–centroid distance = 3.785 (1)Å]. |
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