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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...

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Autores principales: Ghorab, Mostafa M., Al-Said, Mansour S., Ghabbour, Hazem A., Chia, Tze Shyang, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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