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Bond length (Å) and torsion angles (°) for HTSC3 and HTSC4.
| HTSC3 | HTSC4 |
|---|---|
| C2-N2 1.280(2) | C8-N3 1.278(2) |
| N2-N1 1.382(2) | N3-N2 1.380(2) |
| N1-C1 1.352(2) | N2-C7 1.351(2) |
| C1-N3 1.347(2) | C7-N1 1.351(2) |
| C1-S1 1.689(1) | C7-S1 1.688(2) |
| N3-C9 1.430(2) | N1-C1 1.414(2) |
| C2-N2-N1-C1 173.8(1) | C8-N3-N2-C7 180.0(2) |
| N2-N1-C1-N3 5.33(2) | N3-N2-C7-N1 1.0(2) |
| N1-C1-N3-C9 −177.1(1) | N2-C7-N1-C1 −176.8(2) |
