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Ethyl 2-benzamido-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate

The mol­ecule of the title compound, C(18)H(19)NO(3)S, adopts an approximately planar conformation: the thio­phene and phenyl rings form a dihedral angle of 8.13 (11)° while the ethyl ester group (r.m.s. deviation = 0.0217 Å) is inclined at 1.25 (14) and 8.61 (13)°, respectively, to the thio­phene a...

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Detalles Bibliográficos
Autores principales: Mukhtar, Asma, Tahir, M. Nawaz, Khan, Misbahul Ain, Khan, Muhammad Naeem
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983258/
https://www.ncbi.nlm.nih.gov/pubmed/21587623
http://dx.doi.org/10.1107/S1600536810037761
Descripción
Sumario:The mol­ecule of the title compound, C(18)H(19)NO(3)S, adopts an approximately planar conformation: the thio­phene and phenyl rings form a dihedral angle of 8.13 (11)° while the ethyl ester group (r.m.s. deviation = 0.0217 Å) is inclined at 1.25 (14) and 8.61 (13)°, respectively, to the thio­phene and phenyl rings. An intra­molecular N—H⋯O hydrogen bond with an S(6) ring motif occurs as well as an intra­molecular S⋯O hypervalent inter­action [S⋯O = 2.7369 (18) Å]. The cyclo­hexene ring adopts a half-chair conformation and is disordered over two positions with site occupation factors of 0.641 (6) and 0.359 (6). In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(10) loops.