Table 1. Selected X-ray Crystallographic and Calculated Structural Parameters for 2, 4, 22, and 23.
|
2 |
4 | 22 | 23 | ||
|---|---|---|---|---|---|
| X-ray | Calcd | Calcd | Calcd | Calcd | |
| d(Ni−C), Å | 1.900(7) | 1.930 | 1.962 | 1.963 | 1.933 |
| 1.930 | 1.962 | 1.962 | 1.957 | ||
| 1.930 | 1.962 | 1.963 | 1.957 | ||
| 1.930 | 1.963 | 1.963 | 1.932 | ||
| ∠C−Ni−C, deg (cis) |
90 | 90.01 | 91.96 | 90.29 | 87.50 |
| 90 | 90.00 | 92.00 | 90.40 | 92.79 | |
| 90 | 90.02 | 91.95 | 90.34 | 87.50 | |
| 90 | 89.96 | 91.97 | 90.33 | 87.10 | |
| ∠C−Ni−C, deg (trans) |
180 | 179.77 | 158.57 | 171.16 | 178.01 |
| 180 | 179.82 | 158.67 | 171.16 | 176.86 | |
| d(Ccarbene−N), Å | 1.331(6) | 1.366 | 1.391 | 1.377 | 1.370 |
| 1.366 | 1.404 | 1.381 | 1.370 | ||
| ∠N−Ccarbene−N, deg | 102.6(6) | 104.2 | 101.5 | 103.0 | 104.7 |