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Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
In the title compound, C(9)H(13)NO(2)S, the mean planes of thiophene ring [maximum deviation = 0.0042 (10) Å] and ethoxycarbonyl group [0.0242 (15) Å] are almost coplanar [dihedral angle between them = 0.68 (11)°]. The H atoms of the two methyl groups attached to the thiophene ring are each diso...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393923/ https://www.ncbi.nlm.nih.gov/pubmed/22798788 http://dx.doi.org/10.1107/S1600536812026268 |
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author | Ghorab, Mostafa M. Al-Said, Mansour S. Ghabbour, Hazem A. Chia, Tze Shyang Fun, Hoong-Kun |
author_facet | Ghorab, Mostafa M. Al-Said, Mansour S. Ghabbour, Hazem A. Chia, Tze Shyang Fun, Hoong-Kun |
author_sort | Ghorab, Mostafa M. |
collection | PubMed |
description | In the title compound, C(9)H(13)NO(2)S, the mean planes of thiophene ring [maximum deviation = 0.0042 (10) Å] and ethoxycarbonyl group [0.0242 (15) Å] are almost coplanar [dihedral angle between them = 0.68 (11)°]. The H atoms of the two methyl groups attached to the thiophene ring are each disordered over two orientations with site-occupancy ratios of 0.77 (4):0.23 (4) and 0.84 (4):0.16 (4). An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into an infinite wave-like chain running parallel to the b-axis direction. The crystal structure also features C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3393923 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33939232012-07-13 Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate Ghorab, Mostafa M. Al-Said, Mansour S. Ghabbour, Hazem A. Chia, Tze Shyang Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(9)H(13)NO(2)S, the mean planes of thiophene ring [maximum deviation = 0.0042 (10) Å] and ethoxycarbonyl group [0.0242 (15) Å] are almost coplanar [dihedral angle between them = 0.68 (11)°]. The H atoms of the two methyl groups attached to the thiophene ring are each disordered over two orientations with site-occupancy ratios of 0.77 (4):0.23 (4) and 0.84 (4):0.16 (4). An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into an infinite wave-like chain running parallel to the b-axis direction. The crystal structure also features C—H⋯π interactions. International Union of Crystallography 2012-06-16 /pmc/articles/PMC3393923/ /pubmed/22798788 http://dx.doi.org/10.1107/S1600536812026268 Text en © Ghorab et al. 2012 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 Ghorab, Mostafa M. Al-Said, Mansour S. Ghabbour, Hazem A. Chia, Tze Shyang Fun, Hoong-Kun Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
title | Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
title_full | Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
title_fullStr | Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
title_full_unstemmed | Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
title_short | Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
title_sort | ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393923/ https://www.ncbi.nlm.nih.gov/pubmed/22798788 http://dx.doi.org/10.1107/S1600536812026268 |
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