Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

The molecule of the title compound, C21H19NO4S, 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 me...

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Bibliographic Details
Main Authors: Mohamed Bakhouch, Abdelali Kerbal, Mohamed El Yazidi, Mohamed Saadi, Lahcen El Ammari
Format: Article
Language:English
Published: International Union of Crystallography 2015-05-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
thioaurones
hydrogen bonding
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015008154
Description
Summary:The molecule of the title compound, C21H19NO4S, 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.
ISSN:2056-9890

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