Table 2. Selected bond lengths and comparisons (Å) of the structures.
See Fig. 2 ▸ for definitions of distances A–D.
| Compound | A | B | C | D | Δ(A–D) | Δ(C—B) |
|---|---|---|---|---|---|---|
| 1 | 1.318 (2) | 1.320 (2) | 1.387 (2) | 1.275 (2) | 0.043 (4) | 0.067 (4) |
| 1·HCl (protonated species) | 1.299 (3) | 1.343 (3) | 1.349 (3) | 1.294 (2) | 0.005 (5) | 0.006 (6) |
| 1·HCl (neutral species) | 1.314 (3) | 1.323 (3) | 1.393 (3) | 1.274 (3) | 0.040 (6) | 0.070 (6) |
| 2 (upper) | 1.329 (2) | 1.316 (2) | 1.386 (1) | 1.280 (2) | 0.049 (4) | 0.070 (3) |
| 2 (lower) | 1.325 (2) | 1.323 (2) | 1.381 (2) | 1.289 (2) | 0.036 (4) | 0.058 (4) |
| 3 | 1.311 (2) | 1.333 (1) | 1.379 (2) | 1.231 (1) | – | 0.046 (3) |
| 4 | 1.315 (2) | 1.334 (1) | 1.366 (2) | 1.238 (1) | – | 0.032 (3) |