| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.28373 (7) | 0.06214 (5) | 0.48763 (5) | 0.0569 (2) | |
| N1 | 0.12629 (19) | 0.31134 (15) | 0.42214 (12) | 0.0387 (3) | |
| C6 | 0.2688 (2) | 0.44038 (19) | 0.63087 (16) | 0.0411 (4) | |
| H6A | 0.2580 | 0.3716 | 0.6877 | 0.049* | |
| N2 | 0.0960 (2) | 0.34462 (18) | 0.29614 (13) | 0.0509 (4) | |
| C7 | 0.0840 (2) | 0.17530 (18) | 0.45677 (18) | 0.0436 (4) | |
| H7A | −0.0195 | 0.1369 | 0.3878 | 0.052* | |
| H7B | 0.0453 | 0.1810 | 0.5329 | 0.052* | |
| N3 | 0.1527 (2) | 0.47155 (18) | 0.29024 (14) | 0.0534 (4) | |
| C2 | 0.2235 (2) | 0.52323 (19) | 0.41342 (16) | 0.0403 (4) | |
| C1 | 0.2084 (2) | 0.42052 (17) | 0.49813 (15) | 0.0332 (4) | |
| C4 | 0.3611 (3) | 0.6730 (2) | 0.5873 (2) | 0.0557 (5) | |
| H4A | 0.4140 | 0.7581 | 0.6204 | 0.067* | |
| C3 | 0.3011 (3) | 0.6533 (2) | 0.4584 (2) | 0.0514 (5) | |
| H3B | 0.3111 | 0.7231 | 0.4023 | 0.062* | |
| C5 | 0.3451 (3) | 0.5681 (2) | 0.67153 (19) | 0.0504 (5) | |
| H5A | 0.3884 | 0.5860 | 0.7592 | 0.061* |