| x | y | z | Uiso*/Ueq | ||
| S1 | 0.85152 (6) | 0.67255 (4) | 0.96395 (5) | 0.0370 (1) | |
| N1 | 0.83799 (17) | 0.42811 (15) | 0.67906 (15) | 0.0288 (3) | |
| C1 | 0.6807 (2) | 0.53275 (19) | 0.87903 (17) | 0.0327 (4) | |
| C2 | 0.67171 (19) | 0.4989 (2) | 0.70672 (17) | 0.0326 (4) | |
| Cl1 | 0.77972 (4) | 0.40823 (4) | 0.31160 (4) | 0.0290 (1) | |
| H1AN | 0.853 (3) | 0.335 (3) | 0.726 (3) | 0.045 (6)* | |
| H1A | 0.711 (3) | 0.439 (3) | 0.942 (3) | 0.038 (5)* | |
| H1B | 0.570 (3) | 0.572 (3) | 0.894 (3) | 0.045 (6)* | |
| H1S | 0.795 (3) | 0.783 (3) | 0.881 (3) | 0.060 (7)* | |
| H1BN | 0.935 (3) | 0.485 (3) | 0.714 (3) | 0.044 (6)* | |
| H2A | 0.652 (3) | 0.597 (2) | 0.644 (2) | 0.033 (5)* | |
| H2B | 0.575 (3) | 0.428 (3) | 0.668 (3) | 0.055 (7)* | |
| H1CN | 0.834 (3) | 0.414 (3) | 0.576 (3) | 0.047 (6)* |