5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one
The title compound, C13H16N2O3S, consists of two crystallographically independent molecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both molecules, the pyrazole rings are approx...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810044181 |
| _version_ | 1818948420357849088 |
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| author | M. Venkatesh V. Vijayakumar Wan-Sin Loh Hoong-Kun Fun R. Venkat Ragavan |
| author_facet | M. Venkatesh V. Vijayakumar Wan-Sin Loh Hoong-Kun Fun R. Venkat Ragavan |
| author_sort | M. Venkatesh |
| collection | DOAJ |
| description | The title compound, C13H16N2O3S, consists of two crystallographically independent molecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both molecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017 (2) and 0.010 (2) Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63 (11) and 70.07 (12)°. In one molecule, an intramolecular C—H...O hydrogen bond with an S(6) ring motif is observed. In the crystal, intermolecular N—H...O and C—H...O hydrogen bonds link the molecules into two-dimensional networks parallel to the ab plane. |
| first_indexed | 2024-12-20T08:46:31Z |
| format | Article |
| id | doaj.art-50569d62ec16495c983a4c8b4f695aaa |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T08:46:31Z |
| publishDate | 2010-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-50569d62ec16495c983a4c8b4f695aaa2022-12-21T19:46:14ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3050o305110.1107/S16005368100441815-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-oneM. VenkateshV. VijayakumarWan-Sin LohHoong-Kun FunR. Venkat RagavanThe title compound, C13H16N2O3S, consists of two crystallographically independent molecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both molecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017 (2) and 0.010 (2) Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63 (11) and 70.07 (12)°. In one molecule, an intramolecular C—H...O hydrogen bond with an S(6) ring motif is observed. In the crystal, intermolecular N—H...O and C—H...O hydrogen bonds link the molecules into two-dimensional networks parallel to the ab plane.http://scripts.iucr.org/cgi-bin/paper?S1600536810044181 |
| spellingShingle | M. Venkatesh V. Vijayakumar Wan-Sin Loh Hoong-Kun Fun R. Venkat Ragavan 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one Acta Crystallographica Section E |
| title | 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one |
| title_full | 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one |
| title_fullStr | 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one |
| title_full_unstemmed | 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one |
| title_short | 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one |
| title_sort | 5 isobutyl 4 phenylsulfonyl 1h pyrazol 3 2h one |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810044181 |
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