| Bond lengths (Å) |
| Cyclic form (A) |
Schiff base form (B) |
| C19-H32 |
1.113 |
S20-H32 |
1.346 |
| N18-H31 |
1.047 |
N18-H31 |
1.104 |
| C16-H30 |
1.102 |
C17-H30 |
1.103 |
| C15-H29 |
1.103 |
C16-H29 |
1.103 |
| C14-H28 |
1.103 |
C15-H28 |
1.106 |
| C13-H27 |
1.104 |
C12-H27 |
1.093 |
| O11-H26 |
0.97 |
O11-H26 |
0.97 |
| C8-H25 |
1.103 |
C8-H25 |
1.104 |
| C7-H24 |
1.103 |
C7-H24 |
1.103 |
| C6-H23 |
1.102 |
C6-H23 |
1.102 |
| C5-H22 |
1.102 |
C5-H22 |
1.102 |
| C4-H21 |
1.103 |
C4-H21 |
1.103 |
| C4-N3 |
1.264 |
C14-C19 |
1.354 |
| C2-N3 |
1.269 |
C18-C19 |
1.347 |
| C1-C2 |
1.347 |
C17-C18 |
1.34 |
| C10-C2 |
1.35 |
C16-C17 |
1.338 |
| C9-C10 |
1.351 |
C15-C16 |
1.341 |
| C8-C9 |
1.345 |
C14-C15 |
1.354 |
| C7-C8 |
1.34 |
C4-N3 |
1.264 |
| C1-C7 |
1.342 |
C2-N3 |
1.269 |
| C6-C1 |
1.344 |
C1-C2 |
1.347 |
| C5-C6 |
1.34 |
C10-C2 |
1.351 |
| C4-C5 |
1.34 |
C9-C10 |
1.353 |
| C12-C17 |
1.346 |
C8-C9 |
1.348 |
| N18-C17 |
1.268 |
C7-C8 |
1.34 |
| C16-C17 |
1.34 |
C1-C7 |
1.341 |
| C15-C16 |
1.343 |
C6-C1 |
1.344 |
| C14-C15 |
1.344 |
C5-C6 |
1.34 |
| C13-C14 |
1.344 |
C4-C5 |
1.34 |
| C12-C13 |
1.342 |
C19-S20 |
1.832 |
| S20-C12 |
1.474 |
C14-N13 |
1.273 |
| C19-S20 |
1.792 |
C12-N13 |
1.264 |
| N18-C19 |
1.473 |
C9-C12 |
1.353 |
| C19-C9 |
1.514 |
|
|
|
