Polymorphs of Tolfenamic Acids: Stability Analysis Using Cluster Method

Abstract

We report results of the relative stability between form I and form II of tolfenamic acid. By performing systematic cluster calculations at the B3LYP/6-31 G level of theory and including the corrections to the dispersion and basis set superposition error, we found that form II is energetically more stable than form I. Furthermore, we found that the formation of dimers has a stabilizing effect compared to individual monomers in the clusters that we have considered.