. Author manuscript; available in PMC: 2016 Jun 3.

Published in final edited form as: Tetrahedron Lett. 2015 Jun 3;56(23):3511–3514. doi: 10.1016/j.tetlet.2015.01.022

Table 5.

Distortion analysis of 5,6-indolynes.

Entry	Aryne	Geometry-optimized structure^a	Site of attack (angle difference)
1			C5 (3°)
2			C6 (13°)
3			C6 (15°)
4			C6 (8°)
5			C6 (6°)
6			C6 (2°)

Geometry optimizations were performed using DFT methods (B3LYP/6- 31G*; B3LYP/LACVP was used for 4-iodo-5,6-indolyne (entry 6)).