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Table 4 The optimized bond lengths (in nm) and stability energies E (a.u.) computed at B3LYP/6-311G (d, p) level of theory for IMA, IMB, TS, PA, and PB (see Fig. 4 for atoms numbering)

From: An improved solvent-free synthesis of flunixin and 2-(arylamino) nicotinic acid derivatives using boric acid as catalyst

Bond length (nm) IMA IMB TS PA PB
(N6–H19) 1.92 1.95   1.92 1.92
(C1–Cl10) 1.75 1.75 2.04   
(C1–N22)    1.91 1.37 1.37
E (stability energies in a.u.) − 1149.199 a.u. − 1149.193 a.u.   − 1352.544 a.u. − 1352.544 a.u.