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Selected bond lengths and bond angles for 3a.
| Bond | Bond length(Å) | Bond | Bond angle(°) |
|---|---|---|---|
| N2-C5 | 1.420 | C5-N2-C7 | 118.30 |
| N2-C7 | 1.281 | N2-C7-N3 | 121.20 |
| N3-C8 | 1.375 | S1-C7-N2 | 126.70 |
| N3-C7 | 1.362 | S1-C7-N3 | 112.10 |
| S1-C7 | 1.749 | S1-C9-C8 | 108.20 |
| S1-C9 | 1.803 | C7-N3-C8 | 117.40 |
| C8-C9 | 1.505 | N3-C8-C9 | 110.70 |
