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 bond...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-09-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813019326 |
| _version_ | 1819110931812057088 |
|---|---|
| author | Abdel-Sattar S. Hamad Elgazwy Ibrahim F. Nassar Peter G. Jones |
| author_facet | Abdel-Sattar S. Hamad Elgazwy Ibrahim F. Nassar Peter G. Jones |
| author_sort | Abdel-Sattar S. Hamad Elgazwy |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-22T03:49:34Z |
| format | Article |
| id | doaj.art-4d52ebd6a22f418f92ab4e3e06a82592 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-22T03:49:34Z |
| publishDate | 2013-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-4d52ebd6a22f418f92ab4e3e06a825922022-12-21T18:40:03ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-09-01699o1376o137610.1107/S1600536813019326Ethyl 5-amino-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole-4-carboxylateAbdel-Sattar S. Hamad ElgazwyIbrahim F. NassarPeter G. JonesIn 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.http://scripts.iucr.org/cgi-bin/paper?S1600536813019326 |
| spellingShingle | Abdel-Sattar S. Hamad Elgazwy Ibrahim F. Nassar Peter G. Jones Ethyl 5-amino-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole-4-carboxylate Acta Crystallographica Section E |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813019326 |
| work_keys_str_mv | AT abdelsattarshamadelgazwy ethyl5amino14methylphenylsulfonyl1hpyrazole4carboxylate AT ibrahimfnassar ethyl5amino14methylphenylsulfonyl1hpyrazole4carboxylate AT petergjones ethyl5amino14methylphenylsulfonyl1hpyrazole4carboxylate |