Table 3.
Selected bond distances in 2a,c-f and 3 (Å)
| Bond | 2a | 2e | 2d | 3 | 2f | 2c |
|---|---|---|---|---|---|---|
| N1–C2 | 1.3101(9) | 1.309(3) | 1.311(4) | 1.298(2) | 1.311(2) | 1.3108(17) |
| N1–C8a | 1.3484(9) | 1.346(3) | 1.350(3) | 1.342(2) | 1.347(2) | 1.3479(17) |
| C2–C3 | 1.4478(10) | 1.450(3) | 1.427(5) | 1.444(2) | 1.449(2) | 1.4498(19) |
| C3–N4 | 1.3110(9) | 1.310(3) | 1.314(4) | 1.315(2) | 1.311(2) | 1.3112(17) |
| N4–N5 | 1.3414(8) | 1.344(2) | 1.353(3) | 1.3475(19) | 1.3444(18) | 1.3449(15) |
| N5–C6 | 1.3991(9) | 1.404(3) | 1.403(3) | 1.392(2) | 1.405(2) | 1.4039(17) |
| N5–C8a | 1.3783(9) | 1.377(3) | 1.364(4) | 1.3885(19) | 1.373(2) | 1.3803(17) |
| C6–C7 | 1.4041(10) | 1.401(3) | 1.386(4) | 1.406(2) | 1.397(2) | 1.3953(19) |
| C7–C8 | 1.4275(10) | 1.431(3) | 1.427(4) | 1.425(2) | 1.425(2) | 1.4289(19) |
| C8–C8a | 1.3987(9) | 1.397(3) | 1.394(4) | 1.377(2) | 1.399(2) | 1.4002(19) |
| C8–CN | 1.4126(10) | 1.414(3) | 1.405(4) | 1.416(2) | 1.412(2) | 1.417(2) |
| C7–NH2 | 1.3527(9) | 1.347(3) | 1.349(3) | 1.359(2) | 1.360(2) | 1.3565(18) |
| C2–O | 1.3371(8) | 1.338(2) | 1.340(3) | 1.356(2) | 1.334(2) | 1.3360(16) |
| C6–CO, CAr | 1.4384(10) | 1.439(3) | 1.427(4) | 1.458(2) | 1.437(2) | 1.4479(19) |