Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate

In the title compound, C(14)H(14)BrNO(5), the ester group is disordered [occupancy ratio 0.52 (2):0.48 (2)]. The major component is nearly coplanar with the benzofuran plane, subtending a dihedral angle of 7.84 (2)°, while the amide group is twisted out of the benzofuran plane making a dihedral angl...

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Autores principales: Karunakar, Prashantha, Krishnamurthy, V., Girija, C. R., Krishna, V., Vaidya, V. P., Yamuna, A. J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588419/
https://www.ncbi.nlm.nih.gov/pubmed/23476536
http://dx.doi.org/10.1107/S1600536813002997
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author Karunakar, Prashantha
Krishnamurthy, V.
Girija, C. R.
Krishna, V.
Vaidya, V. P.
Yamuna, A. J.
author_facet Karunakar, Prashantha
Krishnamurthy, V.
Girija, C. R.
Krishna, V.
Vaidya, V. P.
Yamuna, A. J.
author_sort Karunakar, Prashantha
collection PubMed
description In the title compound, C(14)H(14)BrNO(5), the ester group is disordered [occupancy ratio 0.52 (2):0.48 (2)]. The major component is nearly coplanar with the benzofuran plane, subtending a dihedral angle of 7.84 (2)°, while the amide group is twisted out of the benzofuran plane making a dihedral angle of 39.69 (2)°. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, pairs of weak C—H⋯O hydrogen bonds link the mol­ecules into inversion dimers, which are further linked via strong N—H⋯O hydrogen bonds, generating a zigzag chain extending along [100].
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spelling pubmed-35884192013-03-08 Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate Karunakar, Prashantha Krishnamurthy, V. Girija, C. R. Krishna, V. Vaidya, V. P. Yamuna, A. J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(14)BrNO(5), the ester group is disordered [occupancy ratio 0.52 (2):0.48 (2)]. The major component is nearly coplanar with the benzofuran plane, subtending a dihedral angle of 7.84 (2)°, while the amide group is twisted out of the benzofuran plane making a dihedral angle of 39.69 (2)°. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, pairs of weak C—H⋯O hydrogen bonds link the mol­ecules into inversion dimers, which are further linked via strong N—H⋯O hydrogen bonds, generating a zigzag chain extending along [100]. International Union of Crystallography 2013-02-06 /pmc/articles/PMC3588419/ /pubmed/23476536 http://dx.doi.org/10.1107/S1600536813002997 Text en © Karunakar et al. 2013 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 Organic Papers
Karunakar, Prashantha
Krishnamurthy, V.
Girija, C. R.
Krishna, V.
Vaidya, V. P.
Yamuna, A. J.
Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate
title Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate
title_full Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate
title_fullStr Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate
title_full_unstemmed Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate
title_short Ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate
title_sort ethyl 5-bromo-3-eth­oxy­carbonyl­amino-1-benzofuran-2-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588419/
https://www.ncbi.nlm.nih.gov/pubmed/23476536
http://dx.doi.org/10.1107/S1600536813002997
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