Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate

In the title mol­ecule, C(13)H(15)N(3)O(4)S, the benzene and pyrazole rings are inclined to each other at 77.48 (3)°. Two amino H atoms are involved in bifurcated hydrogen bonds, viz. intra­molecular N—H⋯O and inter­molecular N—H⋯O(N). The inter­molecular hydrogen bonds link the mol­ecules related b...

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Autores principales: Elgazwy, Abdel-Sattar S. Hamad, Nassar, Ibrahim F., Jones, Peter G.
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/PMC3884399/
https://www.ncbi.nlm.nih.gov/pubmed/24427020
http://dx.doi.org/10.1107/S1600536813019326
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author Elgazwy, Abdel-Sattar S. Hamad
Nassar, Ibrahim F.
Jones, Peter G.
author_facet Elgazwy, Abdel-Sattar S. Hamad
Nassar, Ibrahim F.
Jones, Peter G.
author_sort Elgazwy, Abdel-Sattar S. Hamad
collection PubMed
description In the title mol­ecule, C(13)H(15)N(3)O(4)S, the benzene and pyrazole rings are inclined to each other at 77.48 (3)°. Two amino H atoms are involved in bifurcated hydrogen bonds, viz. intra­molecular N—H⋯O and inter­molecular N—H⋯O(N). The inter­molecular hydrogen bonds link the mol­ecules related by translation in [100] into chains. A short distance of 3.680 (3) Å between the centroids of benzene and pyrazole rings from neighbouring mol­ecules shows the presence of π–π inter­actions, which link the hydrogen-bonded chains into layers parallel to the ab plane.
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spelling pubmed-38843992014-01-14 Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate Elgazwy, Abdel-Sattar S. Hamad Nassar, Ibrahim F. Jones, Peter G. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(13)H(15)N(3)O(4)S, the benzene and pyrazole rings are inclined to each other at 77.48 (3)°. Two amino H atoms are involved in bifurcated hydrogen bonds, viz. intra­molecular N—H⋯O and inter­molecular N—H⋯O(N). The inter­molecular hydrogen bonds link the mol­ecules related by translation in [100] into chains. A short distance of 3.680 (3) Å between the centroids of benzene and pyrazole rings from neighbouring mol­ecules shows the presence of π–π inter­actions, which link the hydrogen-bonded chains into layers parallel to the ab plane. International Union of Crystallography 2013-08-03 /pmc/articles/PMC3884399/ /pubmed/24427020 http://dx.doi.org/10.1107/S1600536813019326 Text en © Elgazwy 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
Elgazwy, Abdel-Sattar S. Hamad
Nassar, Ibrahim F.
Jones, Peter G.
Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate
title Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate
title_full Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate
title_fullStr Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate
title_full_unstemmed Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate
title_short Ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1H-pyrazole-4-carboxyl­ate
title_sort ethyl 5-amino-1-[(4-methyl­phen­yl)sulfon­yl]-1h-pyrazole-4-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884399/
https://www.ncbi.nlm.nih.gov/pubmed/24427020
http://dx.doi.org/10.1107/S1600536813019326
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