Ethyl 5-amino-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole-4-carboxylate
In the title molecule, C13H15N3O4S, 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 transl...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884399/ |
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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. Organic Papers In the title molecule, C13H15N3O4S, 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Elgazwy, Abdel-Sattar S. Hamad Nassar, Ibrahim F. Jones, Peter G. |
| spellingShingle |
Elgazwy, Abdel-Sattar S. Hamad Nassar, Ibrahim F. Jones, Peter G. Ethyl 5-amino-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole-4-carboxylate |
| author_facet |
Elgazwy, Abdel-Sattar S. Hamad Nassar, Ibrahim F. Jones, Peter G. |
| author_sort |
Elgazwy, Abdel-Sattar S. Hamad |
| title |
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_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_sort |
ethyl 5-amino-1-[(4-methylphenyl)sulfonyl]-1h-pyrazole-4-carboxylate |
| description |
In the title molecule, C13H15N3O4S, 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. |
| publisher |
International Union of Crystallography |
| publishDate |
2013 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884399/ |
| _version_ |
1612045352087584768 |