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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...
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/PMC2983258/ https://www.ncbi.nlm.nih.gov/pubmed/21587623 http://dx.doi.org/10.1107/S1600536810037761 |
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. |
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