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Distortion analysis of 6,7-indolynes.
| Entry | Aryne | Geometry-optimized structurea | Site of attack (angle difference) |
|---|---|---|---|
| 1 |
|
|
C6 (18°) |
| 2 |
|
|
C6 (6°) |
| 3 |
|
|
C7 (1°) |
| 4 |
|
|
C6 (6°) |
| 5 |
|
|
C6 (8°) |
| 6 |
|
|
C6 (8°) |
Geometry optimizations were performed using DFT methods (B3LYP/6-31G*; B3LYP/LACVP was used for 5-iodo-6,7-indolyne (entry 6)).
