1316892-12-2Relevant articles and documents
Effect of electron donating substituents on supramolecular structure of salts having phenylphosphonic acid and pyrazoles
Singh, Udai P.,Kashyap, Sujata,Butcher, Ray J.,Singh, Hari Ji,Mishra, Bhupesh Kumar
experimental part, p. 931 - 941 (2012/05/19)
The reactions of phenylphosphonic acid [(OH)2POC 6H5] (PPA) with a variety of ditopic pyrazoles Pz R1,R2H (where R1 = R2 = H for 1, R1 = R2 = Me for 2, R1 = Ph, R2 = Me for 3 and R1 = R2 = iPr for 4) produce salts 1-4. Due to the presence of different substituents on pyrazole, each salt shows different structure. This study demonstrates that the presence of different substituents on the pyrazole moieties provides sufficient non-covalent interactions which are responsible for the different supramolecular structures adopted. Theoretical studies reveal that the proton affinity increases on the nitrogen having lone pair of electron with the increase of electron density on pyrazole ring but the orientation remains the same in both the solid and gaseous phase.