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(E)-Ethyl 2-cyano-3-[5-nitro-2-(pyrrolidin-1-yl)phen-yl]acrylate.

ABSTRACT: 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 cyano-acetate. The mol-ecular 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 ? = 93.1?(3)°. In the crystal, inversion dimers , linked by pairs of C-H?O inter-actions, are further connected through C-H?N hydrogen bonds. Weak slipped ?-? inter-actions occur between symmetry-related benzene rings [centroid-centroid distance = 3.785?(1)Å].

SUBMITTER: Yapo YM 

PROVIDER: S-EPMC2983149 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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(E)-Ethyl 2-cyano-3-[5-nitro-2-(pyrrolidin-1-yl)phen-yl]acrylate.

Yapo Yapi Marcellin YM   Abou Bakary Coulibaly BC   Adjou Ané A   Kakou-Yao Rita R   Tenon Jules A JA  

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

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 cyano-acetate. The mol-ecular 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 inter-actions, are further connected through C-H⋯N hydrogen bonds. Weak slipped π-π inter-actions o  ...[more]

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