Aguilar-parrilla, Francisco; Cativiela, Carlos; Diaz de Villegas, M. Dolores; Elguero, Jose; Foces-Foces, Concepcion; Garcia Laureiro, Jose Ignacio; Hernandez Cano, Felix; Limbach, Hans Heinrich; Smith, John A. S.; Toiron, Catherine published the artcile< The tautomerism of 3(5)-phenylpyrazoles: an experimental (proton, carbon-13, and nitrogen-15 NMR and x-ray crystallography) study>, Category: pyrazoles-derivatives, the main research area is tautomerism pyrazole derivative multinuclear NMR; association pyrazole derivative.
3(5)-Phenyl- and 5(3)-methyl-3(5)-phenylpyrazole have been studied using multinuclear NMR spectroscopy at low temperature to determine the tautomeric equilibrium constants in the slow proton exchange regime by simple signal integration. To compare the results in solution and in the solid state, the x-ray structure of 4-bromo-3-phenylpyrazole was determined 3(5)-Phenylpyrazoles exist in solution as mixtures rich in the 3-Ph tautomer, which is also the tautomer present in the solid state, whereas they form monomers which are hydrogen bonded to the solvent in liquids like THF and self-associate in inert solvents.
Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) published new progress about Hydrogen bond. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Category: pyrazoles-derivatives.
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics