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. 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 4.

Distortion analysis of 4,5-indolynes.

Entry Aryne Geometry-optimized structurea Site of attack (angle difference)
1 graphic file with name nihms663927t27.jpg graphic file with name nihms663927t28.jpg C5 (4°)
2 graphic file with name nihms663927t29.jpg graphic file with name nihms663927t30.jpg C4 (10°)
3 graphic file with name nihms663927t31.jpg graphic file with name nihms663927t32.jpg C4 (13°)
4 graphic file with name nihms663927t33.jpg graphic file with name nihms663927t34.jpg C4 (7°)
5 graphic file with name nihms663927t35.jpg graphic file with name nihms663927t36.jpg C4 (6°)
6 graphic file with name nihms663927t37.jpg graphic file with name nihms663927t38.jpg N/A (0°)
a

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