| x | y | z | Uiso*/Ueq | ||
| Cl1 | −0.20822 (3) | 0.54220 (12) | 0.82496 (4) | 0.08193 (19) | |
| S1 | 0.39710 (3) | 1.03306 (7) | 1.11917 (3) | 0.04855 (13) | |
| O1 | 0.23806 (7) | 0.8565 (2) | 1.00294 (8) | 0.0547 (3) | |
| N1 | 0.53067 (8) | 0.7454 (2) | 1.08411 (8) | 0.0444 (3) | |
| N2 | 0.37558 (8) | 0.6335 (2) | 1.00962 (8) | 0.0410 (2) | |
| C1 | 0.51611 (12) | 1.0855 (3) | 1.16882 (11) | 0.0530 (4) | |
| H1A | 0.5365 | 1.2115 | 1.2085 | 0.064* | |
| C2 | 0.57568 (11) | 0.9199 (3) | 1.14263 (11) | 0.0503 (3) | |
| H2A | 0.6429 | 0.9223 | 1.1626 | 0.060* | |
| C3 | 0.43688 (9) | 0.7846 (2) | 1.06618 (8) | 0.0370 (3) | |
| C4 | 0.27847 (9) | 0.6768 (2) | 0.98005 (9) | 0.0409 (3) | |
| C5 | 0.22953 (11) | 0.4817 (3) | 0.91743 (12) | 0.0508 (4) | |
| H5A | 0.2547 | 0.4902 | 0.8619 | 0.061* | |
| H5B | 0.2473 | 0.3248 | 0.9442 | 0.061* | |
| C6 | 0.11993 (10) | 0.4988 (2) | 0.89603 (9) | 0.0396 (3) | |
| C7 | 0.06207 (10) | 0.3160 (2) | 0.92138 (9) | 0.0425 (3) | |
| H7A | 0.0916 | 0.1835 | 0.9531 | 0.051* | |
| C8 | −0.03890 (11) | 0.3270 (3) | 0.90033 (10) | 0.0458 (3) | |
| H8A | −0.0773 | 0.2037 | 0.9174 | 0.055* | |
| C9 | −0.08118 (10) | 0.5259 (3) | 0.85331 (9) | 0.0457 (3) | |
| C10 | −0.02621 (11) | 0.7100 (3) | 0.82739 (9) | 0.0501 (3) | |
| H10A | −0.0562 | 0.8422 | 0.7958 | 0.060* | |
| C11 | 0.07454 (11) | 0.6961 (3) | 0.84901 (9) | 0.0465 (3) | |
| H11A | 0.1124 | 0.8204 | 0.8319 | 0.056* | |
| H1N2 | 0.4009 (14) | 0.518 (3) | 0.9827 (12) | 0.052 (5)* |