The molecular graphs of the TS1-2x and TS11-3x showed similar topological pattern and are shown in their generic forms in the Figure . The distances and topological properties evaluated at the bcps of the breaking and forming bonds in TS1-2x and TS1-2x, are listed in Tables and, respectively. The results showed that the C 1 -N 1 bond distances were longer than the C 3 -N 3 ones for all the TS1-2x. The bcps for both interactions were found to form a six-membered ring with its associated ring critical point (rcp). This topological pattern is characteristic of [3,3]-sigmatropic TSs of compounds containing azide groups. The values of b at the C 1 -N 1 bcps (0.031-0.074 au.) were lower than those at the C 3 -N 3 bcps (0.061-0.074 au.), in agreement with the bond distances.