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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 6.

Distortion analysis of 6,7-indolynes.

Entry Aryne Geometry-optimized structurea Site of attack (angle difference)
1 graphic file with name nihms663927t51.jpg graphic file with name nihms663927t52.jpg C6 (18°)
2 graphic file with name nihms663927t53.jpg graphic file with name nihms663927t54.jpg C6 (6°)
3 graphic file with name nihms663927t55.jpg graphic file with name nihms663927t56.jpg C7 (1°)
4 graphic file with name nihms663927t57.jpg graphic file with name nihms663927t58.jpg C6 (6°)
5 graphic file with name nihms663927t59.jpg graphic file with name nihms663927t60.jpg C6 (8°)
6 graphic file with name nihms663927t61.jpg graphic file with name nihms663927t62.jpg C6 (8°)
a

Geometry optimizations were performed using DFT methods (B3LYP/6-31G*; B3LYP/LACVP was used for 5-iodo-6,7-indolyne (entry 6)).