| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.65306 (10) | 0.64380 (4) | 0.49830 (2) | 0.02780 (17) | |
| O1 | 0.7056 (3) | 1.04630 (12) | 0.60138 (7) | 0.0247 (3) | |
| N1 | 0.8112 (3) | 0.84349 (13) | 0.63161 (8) | 0.0195 (3) | |
| H1n | 0.785 (5) | 0.7824 (15) | 0.6637 (10) | 0.028* | |
| N2 | 0.4415 (3) | 0.85341 (14) | 0.75082 (8) | 0.0222 (3) | |
| N3 | 0.1647 (4) | 1.07915 (15) | 0.78848 (9) | 0.0275 (4) | |
| C1 | 0.6754 (4) | 0.95343 (16) | 0.64249 (9) | 0.0182 (3) | |
| C2 | 0.4763 (4) | 0.95775 (15) | 0.70976 (9) | 0.0180 (3) | |
| C3 | 0.2635 (4) | 0.86226 (18) | 0.80989 (10) | 0.0249 (4) | |
| H3 | 0.2273 | 0.7897 | 0.8396 | 0.030* | |
| C4 | 0.1292 (4) | 0.97467 (19) | 0.82923 (10) | 0.0264 (4) | |
| H4 | 0.0087 | 0.9772 | 0.8727 | 0.032* | |
| C5 | 0.3352 (4) | 1.06922 (17) | 0.72769 (10) | 0.0229 (4) | |
| H5 | 0.3607 | 1.1403 | 0.6959 | 0.028* | |
| C6 | 1.0072 (4) | 0.82477 (17) | 0.56832 (9) | 0.0212 (4) | |
| H6A | 1.1499 | 0.7565 | 0.5821 | 0.025* | |
| H6B | 1.1252 | 0.9020 | 0.5613 | 0.025* | |
| C7 | 0.8395 (4) | 0.79260 (17) | 0.49280 (10) | 0.0232 (4) | |
| H7A | 0.9823 | 0.7900 | 0.4511 | 0.028* | |
| H7B | 0.6894 | 0.8586 | 0.4799 | 0.028* |