1-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-one
The title compound, C16H13FN2OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198 (11) Å] is inclined at angles of 33.10 (5) and 79.57 (5)&#17...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810040596 |
| _version_ | 1818894475466899456 |
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| author | Tara Shahani Hoong-Kun Fun R. Venkat Ragavan V. Vijayakumar M. Venkatesh |
| author_facet | Tara Shahani Hoong-Kun Fun R. Venkat Ragavan V. Vijayakumar M. Venkatesh |
| author_sort | Tara Shahani |
| collection | DOAJ |
| description | The title compound, C16H13FN2OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198 (11) Å] is inclined at angles of 33.10 (5) and 79.57 (5)° with respect to the fluorophenyl [maximum deviation = 0.0090 (12) Å] and phenylthiol [maximum deviation = 0.0229 (3) Å] rings attached to it. In the crystal, neighbouring molecules are linked into inversion dimers, generating R22(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via intermolecular N—H...O, C—H...F and C—H...O hydrogen bonds. The crystal is further stabilized by weak π–π [centroid–centroid distance = 3.6921 (7) Å] and C—H...π interactions. |
| first_indexed | 2024-12-19T18:29:05Z |
| format | Article |
| id | doaj.art-bd70e4e65e114ef884771b09eb7bc2ad |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T18:29:05Z |
| publishDate | 2010-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-bd70e4e65e114ef884771b09eb7bc2ad2022-12-21T20:10:46ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611o2815o281610.1107/S16005368100405961-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-oneTara ShahaniHoong-Kun FunR. Venkat RagavanV. VijayakumarM. VenkateshThe title compound, C16H13FN2OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198 (11) Å] is inclined at angles of 33.10 (5) and 79.57 (5)° with respect to the fluorophenyl [maximum deviation = 0.0090 (12) Å] and phenylthiol [maximum deviation = 0.0229 (3) Å] rings attached to it. In the crystal, neighbouring molecules are linked into inversion dimers, generating R22(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via intermolecular N—H...O, C—H...F and C—H...O hydrogen bonds. The crystal is further stabilized by weak π–π [centroid–centroid distance = 3.6921 (7) Å] and C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536810040596 |
| spellingShingle | Tara Shahani Hoong-Kun Fun R. Venkat Ragavan V. Vijayakumar M. Venkatesh 1-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-one Acta Crystallographica Section E |
| title | 1-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-one |
| title_full | 1-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-one |
| title_fullStr | 1-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-one |
| title_full_unstemmed | 1-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-one |
| title_short | 1-(4-Fluorophenyl)-3-methyl-4-phenylsulfanyl-1H-pyrazol-5(4H)-one |
| title_sort | 1 4 fluorophenyl 3 methyl 4 phenylsulfanyl 1h pyrazol 5 4h one |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810040596 |
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