| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.21857 (5) | −0.03042 (5) | 1.03331 (5) | 0.03620 (16) | |
| C1 | 0.3363 (2) | 0.09251 (17) | 0.98421 (17) | 0.0277 (4) | |
| N2 | 0.45074 (18) | 0.18016 (15) | 1.07892 (14) | 0.0279 (3) | |
| C3 | 0.5441 (2) | 0.27800 (17) | 1.04347 (17) | 0.0274 (4) | |
| C4 | 0.6751 (2) | 0.37174 (18) | 1.14484 (18) | 0.0312 (4) | |
| O5 | 0.69369 (17) | 0.35382 (14) | 1.27008 (13) | 0.0379 (3) | |
| C6 | 0.8178 (3) | 0.4523 (3) | 1.3736 (2) | 0.0508 (6) | |
| H6A | 0.9272 | 0.448 | 1.3567 | 0.076* | |
| H6B | 0.8202 | 0.4318 | 1.4593 | 0.076* | |
| H6C | 0.7909 | 0.5447 | 1.3756 | 0.076* | |
| C7 | 0.7706 (2) | 0.4691 (2) | 1.1101 (2) | 0.0371 (4) | |
| H7 | 0.8587 | 0.5309 | 1.177 | 0.045* | |
| C8 | 0.7410 (3) | 0.4798 (2) | 0.9768 (2) | 0.0387 (4) | |
| H8 | 0.8091 | 0.5483 | 0.9558 | 0.046* | |
| C9 | 0.6153 (2) | 0.3923 (2) | 0.8783 (2) | 0.0349 (4) | |
| O10 | 0.5731 (2) | 0.39496 (16) | 0.74704 (15) | 0.0439 (4) | |
| C11 | 0.6705 (3) | 0.4986 (2) | 0.7119 (2) | 0.0502 (6) | |
| H11A | 0.6632 | 0.5894 | 0.7635 | 0.075* | |
| H11B | 0.628 | 0.4926 | 0.6168 | 0.075* | |
| H11C | 0.7871 | 0.4848 | 0.7313 | 0.075* | |
| C12 | 0.5154 (2) | 0.28768 (18) | 0.90951 (18) | 0.0307 (4) | |
| C13 | 0.3894 (2) | 0.18913 (19) | 0.81199 (18) | 0.0326 (4) | |
| H13 | 0.3669 | 0.1923 | 0.7214 | 0.039* | |
| C14 | 0.2996 (2) | 0.08919 (18) | 0.84700 (17) | 0.0309 (4) | |
| C15 | 0.1747 (3) | −0.0235 (2) | 0.74667 (18) | 0.0367 (4) | |
| H15 | 0.1828 | −0.1184 | 0.7581 | 0.044* | |
| O16 | 0.13334 (18) | −0.01119 (16) | 0.61244 (13) | 0.0421 (4) | |
| C17 | 0.0041 (2) | −0.00089 (19) | 0.67835 (18) | 0.0347 (4) | |
| C18 | −0.0392 (2) | 0.1364 (2) | 0.7104 (2) | 0.0379 (4) | |
| N19 | −0.0698 (2) | 0.2443 (2) | 0.7373 (3) | 0.0590 (6) | |
| C20 | −0.1344 (3) | −0.1243 (2) | 0.6298 (2) | 0.0429 (5) | |
| O21 | −0.1073 (3) | −0.23961 (17) | 0.6035 (2) | 0.0796 (7) | |
| O22 | −0.27917 (19) | −0.08591 (15) | 0.62274 (14) | 0.0423 (4) | |
| C23 | −0.4215 (3) | −0.1992 (3) | 0.5871 (3) | 0.0537 (6) | |
| H23A | −0.4089 | −0.275 | 0.516 | 0.064* | |
| H23B | −0.4248 | −0.2353 | 0.6655 | 0.064* | |
| C24 | −0.5687 (4) | −0.1501 (3) | 0.5431 (4) | 0.0786 (10) | |
| H24A | −0.5758 | −0.07 | 0.6108 | 0.118* | |
| H24B | −0.6643 | −0.2222 | 0.5272 | 0.118* | |
| H24C | −0.5697 | −0.1233 | 0.4602 | 0.118* |