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2-(2-Nitro­anilino)-5,6,7,8-tetra­hydro-4H-cyclo­hepta­[b]thio­phene-3-carbonitrile

The title compound, C(16)H(15)N(3)O(2)S, was synthesized by the reaction of 2-amino-5,6,7,8-tetra­hydro-4H-cyclo­hepta­[b]thio­phene-3-carbonitrile and o-fluoro­nitro­benzene. The thio­phene and nitro­phenyl rings and amino and carbonitrile groups are coplanar with a maximum deviation of 0.046 (2) Å...

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Detalles Bibliográficos
Autores principales: de Lima, Maria do Carmo A., Mendonça Junior, Francisco J. B., Galdino, Suely L., Pitta, Ivan R., de Simone, Carlos A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979624/
https://www.ncbi.nlm.nih.gov/pubmed/21579437
http://dx.doi.org/10.1107/S1600536810017149
Descripción
Sumario:The title compound, C(16)H(15)N(3)O(2)S, was synthesized by the reaction of 2-amino-5,6,7,8-tetra­hydro-4H-cyclo­hepta­[b]thio­phene-3-carbonitrile and o-fluoro­nitro­benzene. The thio­phene and nitro­phenyl rings and amino and carbonitrile groups are coplanar with a maximum deviation of 0.046 (2) Å and a dihedral angle of 0.92 (6)° between the rings. The cyclo­hepta ring adopts a chair conformation. Intra­molecular N—H⋯O and C—H⋯S inter­actions occur. In the crystal, the mol­ecules form layers that are linked by π–π stacking inter­actions between the thio­phene and benzene rings [centroid–centroid distances = 3.7089 (12) and 3.6170 (12) Å].