| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.16414 (9) | 0.67224 (7) | 0.15558 (6) | 0.0435 (3) | |
| O1 | −0.2070 (2) | 0.70451 (18) | 0.04718 (16) | 0.0403 (6) | |
| C2 | −0.0247 (3) | 0.8296 (2) | 0.0969 (2) | 0.0298 (8) | |
| N1 | −0.1950 (3) | 0.9652 (2) | 0.0421 (2) | 0.0435 (8) | |
| H1A | −0.2129 | 0.9255 | −0.0017 | 0.052* | |
| H1B | −0.2227 | 1.0347 | 0.0402 | 0.052* | |
| C4 | −0.0826 (3) | 0.7415 (2) | 0.0382 (2) | 0.0302 (7) | |
| N2 | 0.0030 (3) | 0.7101 (2) | −0.02413 (17) | 0.0352 (7) | |
| H2 | 0.0870 | 0.7405 | −0.0280 | 0.042* | |
| C6 | 0.0854 (3) | 0.8068 (3) | 0.1541 (2) | 0.0332 (8) | |
| C7 | −0.0872 (3) | 0.9385 (3) | 0.0972 (2) | 0.0353 (8) | |
| C8 | −0.0390 (4) | 1.0177 (3) | 0.1558 (2) | 0.0398 (9) | |
| H8 | −0.0809 | 1.0911 | 0.1568 | 0.048* | |
| C9 | 0.1338 (4) | 0.8853 (3) | 0.2115 (2) | 0.0413 (9) | |
| H9 | 0.2095 | 0.8675 | 0.2493 | 0.050* | |
| C10 | 0.0685 (4) | 0.9910 (3) | 0.2123 (2) | 0.0443 (9) | |
| H10 | 0.0982 | 1.0458 | 0.2522 | 0.053* | |
| C11 | −0.0395 (4) | 0.6261 (3) | −0.0866 (3) | 0.0498 (10) | |
| H11C | −0.0103 | 0.6522 | −0.1423 | 0.075* | |
| H11B | −0.1443 | 0.6160 | −0.0851 | 0.075* | |
| H11A | 0.0079 | 0.5538 | −0.0742 | 0.075* |