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

نویسندگان

  • Thammarse S. Yamuna
  • Jerry P. Jasinski
  • Manpreet Kaur
  • Brian J. Anderson
  • H. S. Yathirajan
چکیده

The title salt, C9H8FN2 (+)·C2F3O2 (-), 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 inter-actions 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 tri-fluoro-methyl 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.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

(E)-3,3′-(Diazene-1,2-di­yl)bis­(1-methyl-1,4,5,6-tetra­hydro­pyrrolo­[3,4-c]pyrazol-5-ium) dinitrate dihydrate

The title compound, C(12)H(18)N(8) (2+)·2NO(3) (-)·2H(2)O, was synthesized unexpectedly from 3-amino-1-methyl-1,4,5,6-tetra-hydro-pyrrolo-[3,4-c]pyrazol-5-ium chloride and cerium(IV) ammonium nitrate. The cation has a crystallographically imposed centre of symmetry. In the crystal, the ions and water mol-ecules are linked via O-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network.

متن کامل

3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate

The asymmetric unit of the title salt, C3H6N3 (+)·C2F3O2 (-), contains two independent 3-amino-pyrazolium cations and two independent tri-fluoro-acetate anions. The F atoms of both anions were refined as disordered over two sets of sites, with common occupancy ratios of 0.639 (12):0.361 (12). In the crystal, the cations and anions are linked via N-H⋯O hydrogen bonds, forming chains along [100] ...

متن کامل

5-Ethyl-2-(4-fluoro­phen­yl)-4-phen­oxy-1H-pyrazol-3(2H)-one

In the title compound, C(17)H(15)FN(2)O(2), the essentially planar pyrazole ring [maximum deviation = 0.026 (1) Å] makes dihedral angles of 72.06 (7) and 33.05 (7)°, with the phenyl and fluoro-benzene rings, respectively. The dihedral angle between the two six-membered rings is 87.88 (7)°. In the crystal, inter-molecular N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into layers lying paral...

متن کامل

Crystal structure of (4R,5S,6R)-6-azido-5-benz­yloxy-3,3,4-tri­fluoro­azepan-1-ium 2,2,2-tri­fluoro­acetate from synchrotron data

The structure of the title compound, C15H16F6N4O3, was determined using synchrotron radiation on an extremely small crystal (0.015 × 0.01 × 0.01 mm). Although the diffraction was weak, leading to high residuals and a poor data-to-parameter ratio, the data allowed ready solution and refinement to reveal the entire structure. The solid-state structure is in accordance with the absolute configurat...

متن کامل

Synthesis, Spectroscopy and Electrochemistry of New 3-(5-Aryl-4,5-Dihydro-1H-Pyrazol-3-yl)-4-Hydroxy-2H-Chromene-2-One 4, 5 as a Novel Class of Potential Antibacterial and Antioxidant Derivatives

3-((2E)-3(aryl)prop-2-enoyl)-2H-chromen-2-one 3 was synthesized from 4-hydroxy coumarin by refluxing 3-acetyl-4-hydroxy coumarin with aromatic aldehydes in chloroform in the presence of a catalytic amount of piperidine. 3 was converted to pyrazoles 4, 5 by treatment with hydrazine and phenylhydrazine in toluene, respectively. The structures of the new compounds were confirmed by elemental analy...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره 70  شماره 

صفحات  -

تاریخ انتشار 2014