title: 1-(4-Fluoro-phen-yl)-3-methyl-4-phenyl-sulfanyl-1H-pyrazol-5(4H)-one.
abstract: The title compound, C(16)H(13)FN(2)OS, 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 fluoro-phenyl [maximum deviation = 0.0090 (12) Å] and phenyl-thiol [maximum deviation = 0.0229 (3) Å] rings attached to it. In the crystal, neighbouring mol-ecules are linked into inversion dimers, generating R(2) (2)(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via inter-molecular 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 inter-actions.
authors: Tara
authors: T
authors: Shahani
authors: Hoong-Kun
authors: HK
authors: Fun
authors: R Venkat
authors: RV
authors: Ragavan
authors: V
authors: V
authors: Vijayakumar
authors: M
authors: M
authors: Venkatesh
references: Eur J Med Chem. 2010 Mar;45(3):1173-80
references: 20053480
references: Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 28;65(Pt 12):o3249-50
references: 21578948
references: Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55
references: 19171970
references: Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1357-8
references: 21579442
references: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references: 18156677
references: Acta Crystallogr Sect E Struct Rep Online. 2010 May 29;66(Pt 6):o1482-3
references: 21579547
references: Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 16;66(Pt 1):o142-3
references: 21580034