| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.13525 (7) | 0.14663 (8) | 0.40483 (2) | 0.07202 (19) | |
| N1 | 0.29635 (16) | 0.47779 (19) | 0.56727 (6) | 0.0477 (3) | |
| C1 | 0.2909 (2) | 0.3393 (2) | 0.62581 (7) | 0.0435 (3) | |
| C8 | 0.22967 (19) | 0.4317 (2) | 0.50259 (7) | 0.0457 (3) | |
| C2 | 0.4463 (2) | 0.2337 (2) | 0.64621 (7) | 0.0494 (3) | |
| H2 | 0.5533 | 0.2483 | 0.6212 | 0.059* | |
| C6 | 0.1317 (2) | 0.3191 (3) | 0.66275 (8) | 0.0542 (4) | |
| H6 | 0.0279 | 0.3909 | 0.6489 | 0.065* | |
| O1 | 0.21932 (15) | 0.55459 (18) | 0.45449 (6) | 0.0632 (3) | |
| C4 | 0.2821 (2) | 0.0864 (3) | 0.74123 (8) | 0.0605 (4) | |
| H4 | 0.2794 | 0.0017 | 0.7805 | 0.073* | |
| C9 | 0.1674 (2) | 0.2147 (3) | 0.49372 (7) | 0.0566 (4) | |
| H9A | 0.0539 | 0.1962 | 0.5182 | 0.068* | |
| H9B | 0.2575 | 0.1252 | 0.5154 | 0.068* | |
| C3 | 0.4407 (2) | 0.1065 (3) | 0.70395 (8) | 0.0574 (4) | |
| H3 | 0.5442 | 0.0341 | 0.7178 | 0.069* | |
| C5 | 0.1284 (2) | 0.1911 (3) | 0.72052 (8) | 0.0620 (4) | |
| H5 | 0.0214 | 0.1758 | 0.7455 | 0.074* | |
| C7 | 0.3571 (3) | 0.6832 (3) | 0.58295 (10) | 0.0643 (4) | |
| H7A | 0.3770 | 0.7546 | 0.5396 | 0.096* | |
| H7B | 0.4686 | 0.6784 | 0.6103 | 0.096* | |
| H7C | 0.2656 | 0.7523 | 0.6093 | 0.096* |