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

The title compound, C16H15N3O2S, 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)&...

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Bibliographic Details
Main Authors: Maria do Carmo A. de Lima, Francisco J. B. Mendonça Junior, Suely L. Galdino, Ivan R. Pitta, Carlos A. de Simone
Format: Article
Language:English
Published: International Union of Crystallography 2010-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810017149
Description
Summary:The title compound, C16H15N3O2S, 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].
ISSN:1600-5368