Polymorphs of Tolfenamic Acids: Stability Analysis Using Cluster Method

Table 1

Energies of form I clusters. (a) Without complete dimers and (b) with complete dimers. denotes cluster with complete dimers.

(a)

Molecule in cluster, n	(au)	(au)	(kcal mol^−1)
1	−1205.8408931	0.0000000	0.0000000
2	−1205.8551323	−0.0142392	−8.9351323
5	−1205.8587378	−0.0178447	−11.1975784
6	−1205.8648680	−0.0239749	−15.0442962
10	−1205.8625549	−0.0216618	−13.5928331
17	−1205.8695943	−0.0287012	−18.0101120
21	−1205.8715498	−0.0306567	−19.2371569
28	−1205.8755554	−0.0346623	−21.7507209
31	−1205.8779238	−0.0370307	−23.2369032

(b)

Molecule in cluster, n	(au)	(au)	(kcal mol^−1)
1	−1205.8408931	0.0000000	0.0000000
2	−1205.8551323	−0.0142392	−8.9351323
8	−1205.8697762	−0.0288831	−18.1242362
16	−1205.8705116	−0.0296185	−18.5857075
28	−1205.8785210	−0.0376279	−23.6116018
34	−1205.8806005	−0.0397074	−24.9165293