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Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate
The molecule of the title compound, C(21)H(19)NO(4)S, features a fused ring system whereby a five-membered ring is flanked by two six-membered rings. This is linked to an ethyl 3-carboxylate group and to a methoxybenzene group. The fused-ring system is quasi-planar, with the greatest deviation f...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420120/ https://www.ncbi.nlm.nih.gov/pubmed/25995952 http://dx.doi.org/10.1107/S2056989015008154 |
Sumario: | The molecule of the title compound, C(21)H(19)NO(4)S, features a fused ring system whereby a five-membered ring is flanked by two six-membered rings. This is linked to an ethyl 3-carboxylate group and to a methoxybenzene group. The fused-ring system is quasi-planar, with the greatest deviation from the mean plane being 0.131 (1) Å for the methine C atom. The plane through the methoxybenzene ring is nearly perpendicular to that through the fused-ring system, as indicated by the dihedral angle of 85.72 (6)°. An intramolecular N—H⋯O hydrogen bond is noted. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming layers that stack along the a axis. |
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