| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.029115 (18) | 0.29660 (7) | 0.17435 (3) | 0.02611 (11) | |
| N1 | 0.17431 (6) | −0.2004 (2) | 0.08617 (9) | 0.0197 (2) | |
| N2 | 0.22948 (8) | −0.2526 (3) | −0.06737 (10) | 0.0270 (3) | |
| C1 | 0.12668 (7) | −0.0733 (2) | 0.14079 (10) | 0.0202 (2) | |
| C2 | 0.08720 (7) | 0.1356 (2) | 0.09858 (10) | 0.0203 (2) | |
| C3 | 0.09605 (8) | 0.2235 (3) | −0.00426 (11) | 0.0232 (3) | |
| C4 | 0.14399 (8) | 0.0960 (3) | −0.06017 (11) | 0.0229 (3) | |
| C5 | 0.18308 (7) | −0.1193 (2) | −0.01300 (10) | 0.0199 (2) | |
| O1 | 0.30023 (6) | 0.33873 (19) | 0.06701 (7) | 0.0235 (2) | |
| O2 | 0.25316 (5) | 0.46305 (18) | 0.21358 (7) | 0.0202 (2) | |
| C6 | 0.35843 (7) | 0.1449 (3) | 0.34708 (10) | 0.0194 (2) | |
| C7 | 0.40642 (7) | −0.0304 (3) | 0.40807 (10) | 0.0226 (3) | |
| C8 | 0.44122 (8) | −0.2180 (3) | 0.35634 (12) | 0.0232 (3) | |
| C9 | 0.42870 (8) | −0.2295 (3) | 0.24289 (12) | 0.0227 (3) | |
| C10 | 0.38163 (7) | −0.0544 (2) | 0.18193 (10) | 0.0202 (2) | |
| C11 | 0.34623 (7) | 0.1339 (2) | 0.23375 (10) | 0.0170 (2) | |
| C12 | 0.29775 (7) | 0.3214 (2) | 0.16423 (10) | 0.0173 (2) | |
| H1 | 0.1213 (10) | −0.132 (3) | 0.2126 (14) | 0.028 (4)* | |
| H3 | 0.0695 (11) | 0.375 (4) | −0.0377 (16) | 0.040 (5)* | |
| H4 | 0.1539 (10) | 0.154 (4) | −0.1271 (15) | 0.032 (5)* | |
| H6 | 0.3370 (10) | 0.270 (4) | 0.3810 (14) | 0.026 (4)* | |
| H7 | 0.4150 (10) | −0.018 (4) | 0.4848 (14) | 0.032 (5)* | |
| H8 | 0.4762 (10) | −0.344 (3) | 0.4016 (14) | 0.026 (4)* | |
| H9 | 0.4506 (10) | −0.362 (3) | 0.2061 (14) | 0.029 (4)* | |
| H10 | 0.3722 (9) | −0.058 (3) | 0.1028 (13) | 0.024 (4)* | |
| H1O2 | 0.2262 (13) | 0.590 (5) | 0.1647 (19) | 0.061 (7)* | |
| H1N2 | 0.2563 (11) | −0.378 (4) | −0.0353 (16) | 0.039 (5)* | |
| H2N2 | 0.2443 (11) | −0.186 (4) | −0.1250 (16) | 0.033 (5)* |