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Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate
In the title compound, C(31)H(31)N(3)O(5)S, the regioselective substitution of the thiophene is confirmed with the amine and the amide at the 2- and 5-positions, respectively. In the molecule, the thiophene ring is twisted by 12.82 (3)° with respect to the aromatic ring of the benzamido group. In...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505590/ https://www.ncbi.nlm.nih.gov/pubmed/31110792 http://dx.doi.org/10.1107/S2056989019003864 |
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author | Gautier, Yohan Maris, Thierry Skene, W. G. |
author_facet | Gautier, Yohan Maris, Thierry Skene, W. G. |
author_sort | Gautier, Yohan |
collection | PubMed |
description | In the title compound, C(31)H(31)N(3)O(5)S, the regioselective substitution of the thiophene is confirmed with the amine and the amide at the 2- and 5-positions, respectively. In the molecule, the thiophene ring is twisted by 12.82 (3)° with respect to the aromatic ring of the benzamido group. Intramolecular N—H⋯O hydrogen bonds are present involving the N atoms of the primary amine and the amide groups, forming S(6) ring motifs. In the crystal, centrosymmetrically related molecules are linked by pairs of N—H⋯O hydrogen bonds involving the amide carbonyl O atoms and the primary amine N atoms to form dimers of R (2) (2)(16) ring motif. |
format | Online Article Text |
id | pubmed-6505590 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65055902019-05-20 Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate Gautier, Yohan Maris, Thierry Skene, W. G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(31)H(31)N(3)O(5)S, the regioselective substitution of the thiophene is confirmed with the amine and the amide at the 2- and 5-positions, respectively. In the molecule, the thiophene ring is twisted by 12.82 (3)° with respect to the aromatic ring of the benzamido group. Intramolecular N—H⋯O hydrogen bonds are present involving the N atoms of the primary amine and the amide groups, forming S(6) ring motifs. In the crystal, centrosymmetrically related molecules are linked by pairs of N—H⋯O hydrogen bonds involving the amide carbonyl O atoms and the primary amine N atoms to form dimers of R (2) (2)(16) ring motif. International Union of Crystallography 2019-04-09 /pmc/articles/PMC6505590/ /pubmed/31110792 http://dx.doi.org/10.1107/S2056989019003864 Text en © Gautier et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Gautier, Yohan Maris, Thierry Skene, W. G. Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate |
title | Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate |
title_full | Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate |
title_fullStr | Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate |
title_full_unstemmed | Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate |
title_short | Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate |
title_sort | crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505590/ https://www.ncbi.nlm.nih.gov/pubmed/31110792 http://dx.doi.org/10.1107/S2056989019003864 |
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