Table 3.
Selected bond distances in 1a–c and 2a,c (Å)
| Bond | 1a·DMSO | [1b]3·DMSO | 1c·DMSO | 2a | 2c |
|---|---|---|---|---|---|
| N1–N2 | 1.3488(9) | 1.3471(12), 1.3500(12), 1.3529(11) | 1.3554(19) | 1.3512(13) | 1.3550(15) |
| N2–C3 | 1.3042(9) | 1.3014(13), 1.3037(12), 1.3053(12) | 1.300(2) | 1.3001(14) | 1.2985(17) |
| C3–C4 | 1.4783(10) | 1.4734(15), 1.4806(14), 1.4803(13) | 1.478(2) | 1.4808(15) | 1.4718(17) |
| C4–N5 | 1.3989(9) | 1.3985(14), 1.3971(13), 1.3954(12) | 1.401(2) | 1.4021(14) | 1.4027(16) |
| N5–N6 | 1.3755(9) | 1.3792(12), 1.3812(12), 1.3753(11) | 1.3771(19) | 1.3739(13) | 1.3710(15) |
| N5–C8a | 1.3650(9) | 1.3698(12), 1.3640(12), 1.3641(11) | 1.362(2) | 1.3660(13) | 1.3730(16) |
| N1–C8a | 1.3378(9) | 1.3453(12), 1.3441(13), 1.3473(11) | 1.331(2) | 1.3469(13) | 1.3627(16) |
| N6–C7 | 1.3202(10) | 1.3194(15), 1.3180(13), 1.3230(12) | 1.314(2) | 1.3166(15) | 1.3177(18) |
| C7–C8 | 1.4187(10) | 1.4194(14), 1.4199(13), 1.4162(12) | 1.411(2) | 1.4175(15) | 1.4236(18) |
| C8–C8a | 1.3972(10) | 1.3947(14), 1.3922(14), 1.3909(12) | 1.393(2) | 1.3909(15) | 1.4008(17) |
| C7–Br | 1.8573(7) | 1.8658(10), 1.8656(10), 1.8589(9) | 1.8599(17) | 1.8605(11) | 1.8665(12) |
| C4=O | 1.2159(9) | 1.2151(12), 1.2146(12), 1.2142(11) | 1.210(2) | 1.2116(13) | 1.2054(16) |