| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.13949 (3) | 0.57508 (12) | 0.24064 (3) | 0.0437 (2) | |
| S1 | 0.33404 (2) | 0.74487 (9) | −0.00369 (2) | 0.02787 (18) | |
| C1 | 0.40616 (9) | 0.8911 (4) | 0.00413 (9) | 0.0235 (4) | |
| C2 | 0.42658 (10) | 0.6258 (3) | 0.07470 (8) | 0.0228 (4) | |
| C3 | 0.36579 (10) | 0.5622 (3) | 0.05422 (9) | 0.0244 (4) | |
| C4 | 0.32309 (10) | 0.3710 (4) | 0.06838 (9) | 0.0284 (5) | |
| H4A | 0.3504 | 0.2416 | 0.0845 | 0.034* | |
| H4B | 0.2975 | 0.3188 | 0.0309 | 0.034* | |
| C5 | 0.27747 (9) | 0.4274 (3) | 0.11205 (9) | 0.0229 (4) | |
| C6 | 0.27927 (11) | 0.6335 (4) | 0.14241 (9) | 0.0301 (5) | |
| H6 | 0.3101 | 0.7454 | 0.1361 | 0.036* | |
| C7 | 0.23707 (11) | 0.6786 (4) | 0.18159 (10) | 0.0309 (5) | |
| H7 | 0.2389 | 0.8202 | 0.2021 | 0.037* | |
| C8 | 0.19240 (10) | 0.5176 (4) | 0.19071 (9) | 0.0287 (5) | |
| C9 | 0.18919 (10) | 0.3095 (4) | 0.16165 (9) | 0.0296 (5) | |
| H9 | 0.1587 | 0.1978 | 0.1687 | 0.036* | |
| C10 | 0.23148 (10) | 0.2676 (4) | 0.12204 (9) | 0.0267 (5) | |
| H10 | 0.2291 | 0.1266 | 0.1012 | 0.032* | |
| C11 | 0.47436 (10) | 0.5254 (4) | 0.12457 (9) | 0.0260 (5) | |
| C12 | 0.50271 (12) | 0.7208 (4) | 0.16519 (10) | 0.0359 (6) | |
| H12A | 0.4687 | 0.7939 | 0.1833 | 0.054* | |
| H12B | 0.5224 | 0.8336 | 0.1418 | 0.054* | |
| H12C | 0.5351 | 0.6594 | 0.1964 | 0.054* | |
| C13 | 0.52788 (11) | 0.4074 (4) | 0.09748 (10) | 0.0358 (6) | |
| H13A | 0.5609 | 0.3542 | 0.1292 | 0.054* | |
| H13B | 0.5467 | 0.5160 | 0.0723 | 0.054* | |
| H13C | 0.5103 | 0.2768 | 0.0736 | 0.054* | |
| C14 | 0.44542 (13) | 0.3499 (5) | 0.16253 (11) | 0.0425 (6) | |
| H14A | 0.4077 | 0.4155 | 0.1763 | 0.064* | |
| H14B | 0.4770 | 0.3087 | 0.1968 | 0.064* | |
| H14C | 0.4330 | 0.2131 | 0.1388 | 0.064* | |
| N1 | 0.44938 (8) | 0.8119 (3) | 0.04551 (7) | 0.0228 (4) | |
| N2 | 0.41428 (9) | 1.0743 (3) | −0.03037 (8) | 0.0289 (4) | |
| H2A | 0.4509 | 1.1483 | −0.0254 | 0.035* | |
| H2B | 0.3830 | 1.1191 | −0.0577 | 0.035* |