Abstract

AbstractSynthesis of four new flexible pyrazolone derivatives have been carried out for conformational studies. The conformational studies have been done with X‐ray crystallography in solid state and theoretical calculation in gaseous state. The solid state study has revealed that substituted pyrazole moiety linked with pthalimido moiety via oxaethylene linker i. e. compounds 5 and 6 have shown folded conformation while increasing one methylene more in compound 7 has shown open conformation. However, theoretical calculation revealed that all compound stable in folded conformation. The quantitative analyses for intermolecular interaction of all compounds have been carried out by Hirshfeld surface analysis and Pixel calculations.

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