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...

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Bibliographic Details
Main Authors: Tara Shahani, Hoong-Kun Fun, R. Venkat Ragavan, V. Vijayakumar, M. Venkatesh
Format: Article
Language:English
Published: International Union of Crystallography 2010-11-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810040596
Description
Summary: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.
ISSN:1600-5368