Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate

In the title compound, C(17)H(18)N(2)O(3)S, the dihedral angles between the thio­phene ring and the ethyl ester group and the pyridine-4-carboxamide unit are 7.1 (2) and 9.47 (11)°, respectively. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked b...

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Autores principales: Mukhtar, Asma, Tahir, M. Nawaz, Khan, Misbahul Ain, Ather, Abdul Qayyum, Sajid, Naveed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393309/
https://www.ncbi.nlm.nih.gov/pubmed/22807866
http://dx.doi.org/10.1107/S1600536812025251
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author Mukhtar, Asma
Tahir, M. Nawaz
Khan, Misbahul Ain
Ather, Abdul Qayyum
Sajid, Naveed
author_facet Mukhtar, Asma
Tahir, M. Nawaz
Khan, Misbahul Ain
Ather, Abdul Qayyum
Sajid, Naveed
author_sort Mukhtar, Asma
collection PubMed
description In the title compound, C(17)H(18)N(2)O(3)S, the dihedral angles between the thio­phene ring and the ethyl ester group and the pyridine-4-carboxamide unit are 7.1 (2) and 9.47 (11)°, respectively. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds between the tetra­hydro-1-benzothio­phene and the pyridine-4-carboxamide residues generate R (2) (2)(16) loops. There exists positional disorder in three methelene groups of the cyclo­hexane ring and the terminal C atom of the ethyl ester side chain in a 0.691 (14):0.309 (14) occupancy ratio.
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spelling pubmed-33933092012-07-17 Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate Mukhtar, Asma Tahir, M. Nawaz Khan, Misbahul Ain Ather, Abdul Qayyum Sajid, Naveed Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(18)N(2)O(3)S, the dihedral angles between the thio­phene ring and the ethyl ester group and the pyridine-4-carboxamide unit are 7.1 (2) and 9.47 (11)°, respectively. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds between the tetra­hydro-1-benzothio­phene and the pyridine-4-carboxamide residues generate R (2) (2)(16) loops. There exists positional disorder in three methelene groups of the cyclo­hexane ring and the terminal C atom of the ethyl ester side chain in a 0.691 (14):0.309 (14) occupancy ratio. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393309/ /pubmed/22807866 http://dx.doi.org/10.1107/S1600536812025251 Text en © Mukhtar 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
Mukhtar, Asma
Tahir, M. Nawaz
Khan, Misbahul Ain
Ather, Abdul Qayyum
Sajid, Naveed
Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate
title Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate
title_full Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate
title_fullStr Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate
title_full_unstemmed Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate
title_short Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate
title_sort ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393309/
https://www.ncbi.nlm.nih.gov/pubmed/22807866
http://dx.doi.org/10.1107/S1600536812025251
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AT atherabdulqayyum ethyl2pyridine4carboxamido4567tetrahydro1benzothiophene3carboxylate
AT sajidnaveed ethyl2pyridine4carboxamido4567tetrahydro1benzothiophene3carboxylate

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