| x | y | z | Uiso*/Ueq | ||
| O2 | 1.11724 (18) | 0.12433 (14) | 0.49990 (13) | 0.0607 (3) | |
| Cl1 | 1.13273 (5) | 0.19233 (4) | 0.17024 (4) | 0.04786 (14) | |
| N1 | 0.73265 (15) | 0.39471 (13) | 0.81065 (11) | 0.0344 (2) | |
| C1 | 0.60912 (19) | 0.31985 (15) | 0.89780 (13) | 0.0373 (3) | |
| C8 | 1.01152 (18) | 0.23770 (16) | 0.56489 (14) | 0.0388 (3) | |
| C5 | 0.67204 (19) | 0.53934 (15) | 0.72045 (13) | 0.0374 (3) | |
| H5 | 0.7607 | 0.5877 | 0.6639 | 0.045* | |
| O1 | 0.92281 (18) | 0.36464 (13) | 0.49974 (11) | 0.0570 (3) | |
| C4 | 0.4848 (2) | 0.61779 (16) | 0.70897 (14) | 0.0390 (3) | |
| C11 | 0.6787 (2) | 0.16261 (18) | 1.00116 (16) | 0.0503 (4) | |
| H11A | 0.7271 | 0.0810 | 0.9453 | 0.075* | |
| H11B | 0.5770 | 0.1396 | 1.0707 | 0.075* | |
| H11C | 0.7768 | 0.1662 | 1.0539 | 0.075* | |
| C3 | 0.3566 (2) | 0.54196 (18) | 0.79512 (16) | 0.0441 (3) | |
| H3 | 0.2282 | 0.5900 | 0.7897 | 0.053* | |
| C2 | 0.4195 (2) | 0.39556 (17) | 0.88856 (15) | 0.0430 (3) | |
| H2 | 0.3323 | 0.3465 | 0.9468 | 0.052* | |
| C6 | 0.93976 (19) | 0.32296 (19) | 0.81201 (15) | 0.0436 (3) | |
| H6A | 0.9709 | 0.2834 | 0.9143 | 0.052* | |
| H6B | 1.0014 | 0.4055 | 0.7671 | 0.052* | |
| C7 | 1.0172 (2) | 0.18822 (18) | 0.73100 (15) | 0.0448 (3) | |
| H7B | 1.1466 | 0.1356 | 0.7534 | 0.054* | |
| H7A | 0.9463 | 0.1110 | 0.7692 | 0.054* | |
| C9 | 0.4262 (2) | 0.77820 (17) | 0.60617 (17) | 0.0510 (4) | |
| H9B | 0.4899 | 0.8477 | 0.6273 | 0.061* | |
| H9A | 0.2920 | 0.8242 | 0.6246 | 0.061* | |
| C10 | 0.4713 (3) | 0.7697 (2) | 0.44375 (17) | 0.0566 (4) | |
| H10A | 0.4327 | 0.8749 | 0.3825 | 0.085* | |
| H10C | 0.4054 | 0.7038 | 0.4214 | 0.085* | |
| H10B | 0.6042 | 0.7252 | 0.4247 | 0.085* | |
| H2A | 1.108 (3) | 0.153 (3) | 0.399 (3) | 0.099 (8)* |