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5-(4-Fluoro­phen­yl)-2H-pyrazol-1-ium 2,2,2-tri­fluoro­acetate

The title salt, C(9)H(8)FN(2) (+)·C(2)F(3)O(2) (−), crystallizes with two independent cations (A and B) and two independent anions (C and D) in the asymmetric unit. In the cations, the dihedral angles between the benzene and pyrazolium rings are 23.7 (3)° in cation A and 1.8 (8)° in cation B. In the...

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Detalles Bibliográficos
Autores principales: Yamuna, Thammarse S., Jasinski, Jerry P., Kaur, Manpreet, Anderson, Brian J., Yathirajan, H. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998555/
https://www.ncbi.nlm.nih.gov/pubmed/24826138
http://dx.doi.org/10.1107/S1600536814005200
Descripción
Sumario:The title salt, C(9)H(8)FN(2) (+)·C(2)F(3)O(2) (−), crystallizes with two independent cations (A and B) and two independent anions (C and D) in the asymmetric unit. In the cations, the dihedral angles between the benzene and pyrazolium rings are 23.7 (3)° in cation A and 1.8 (8)° in cation B. In the crystal, each anion links to the two cations via N—H⋯O hydrogen bonds, forming a U-shaped unit with an R (4) (4)(14) ring motif. These U-shaped units stack along the a axis and are linked via C—H⋯O and C—H⋯F hydrogen bonds, forming slabs lying parallel to (100). Within the slabs there are π–π inter­actions between the pyrazolium rings [inter-centroid distance = 3.6326 (15) Å] and between the benzene rings [inter-centroid distance = 3.7244 (16) Å]. In the anions, the F atoms of the tri­fluoro­methyl groups are disordered over two sets of sites, with refined occupancy ratios of 0.58 (3):0.42, 0.540 (14):0.46 (14), and 0.55 (2):0.45 (2) for anion C, and 0.73 (5):0.27 (5), 0.63 (5):0.37 (5), and 0.57 (8):0.43 (8) for anion D.