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...

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Autores principales: Bakhouch, Mohamed, Kerbal, Abdelali, El Yazidi, Mohamed, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
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
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author Bakhouch, Mohamed
Kerbal, Abdelali
El Yazidi, Mohamed
Saadi, Mohamed
El Ammari, Lahcen
author_facet Bakhouch, Mohamed
Kerbal, Abdelali
El Yazidi, Mohamed
Saadi, Mohamed
El Ammari, Lahcen
author_sort Bakhouch, Mohamed
collection PubMed
description 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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spelling pubmed-44201202015-05-20 Crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate Bakhouch, Mohamed Kerbal, Abdelali El Yazidi, Mohamed Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr E Crystallogr Commun Data Reports 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. International Union of Crystallography 2015-04-30 /pmc/articles/PMC4420120/ /pubmed/25995952 http://dx.doi.org/10.1107/S2056989015008154 Text en © Bakhouch et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Bakhouch, Mohamed
Kerbal, Abdelali
El Yazidi, Mohamed
Saadi, Mohamed
El Ammari, Lahcen
Crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate
title Crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate
title_full Crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate
title_fullStr Crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate
title_short Crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate
title_sort crystal structure of ethyl 2-amino-4-(4-meth­oxy­phen­yl)-4h-1-benzothieno[3,2-b]pyran-3-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420120/
https://www.ncbi.nlm.nih.gov/pubmed/25995952
http://dx.doi.org/10.1107/S2056989015008154
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AT elammarilahcen crystalstructureofethyl2amino44methoxyphenyl4h1benzothieno32bpyran3carboxylate

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