| x | y | z | Uiso*/Ueq | ||
| Br1 | 0.22114 (6) | 0.09041 (3) | 0.56121 (2) | 0.02566 (18) | |
| Br2 | 0.65417 (6) | −0.19402 (3) | 0.84401 (2) | 0.02964 (19) | |
| Cl1 | 0.54034 (14) | 0.40983 (8) | 0.94634 (5) | 0.0248 (3) | |
| N1 | 0.2015 (4) | 0.0764 (3) | 0.83555 (17) | 0.0200 (9) | |
| C1 | 0.1896 (5) | 0.0868 (3) | 0.7726 (2) | 0.0181 (10) | |
| C2 | 0.1017 (5) | 0.1422 (3) | 0.7406 (2) | 0.0205 (11) | |
| H2 | 0.0388 | 0.1783 | 0.7611 | 0.025* | |
| C3 | 0.1123 (5) | 0.1410 (3) | 0.6772 (2) | 0.0208 (11) | |
| H3 | 0.0562 | 0.1771 | 0.6536 | 0.025* | |
| C4 | 0.2067 (5) | 0.0860 (3) | 0.6482 (2) | 0.0193 (11) | |
| C5 | 0.2911 (5) | 0.0299 (3) | 0.6790 (2) | 0.0193 (11) | |
| H5 | 0.3511 | −0.0071 | 0.6580 | 0.023* | |
| C6 | 0.2827 (5) | 0.0308 (3) | 0.7433 (2) | 0.0163 (10) | |
| C7 | 0.3559 (5) | −0.0160 (3) | 0.7902 (2) | 0.0170 (10) | |
| C8 | 0.4580 (5) | −0.0795 (3) | 0.7888 (2) | 0.0198 (11) | |
| H8 | 0.4890 | −0.1020 | 0.7515 | 0.024* | |
| C9 | 0.5117 (6) | −0.1080 (3) | 0.8443 (2) | 0.0236 (12) | |
| C10 | 0.4625 (5) | −0.0769 (3) | 0.9006 (2) | 0.0240 (12) | |
| H10 | 0.4999 | −0.0977 | 0.9375 | 0.029* | |
| C11 | 0.3590 (5) | −0.0155 (3) | 0.9018 (2) | 0.0224 (11) | |
| H11 | 0.3259 | 0.0052 | 0.9395 | 0.027* | |
| C12 | 0.3041 (5) | 0.0154 (3) | 0.8466 (2) | 0.0182 (11) | |
| C13 | 0.1391 (6) | 0.1292 (3) | 0.8828 (2) | 0.0230 (12) | |
| H13A | 0.1194 | 0.0985 | 0.9201 | 0.028* | |
| H13B | 0.0425 | 0.1505 | 0.8683 | 0.028* | |
| C14 | 0.2447 (5) | 0.1977 (3) | 0.8982 (2) | 0.0190 (11) | |
| C15 | 0.2722 (5) | 0.2589 (3) | 0.8562 (2) | 0.0208 (11) | |
| H15 | 0.2264 | 0.2568 | 0.8174 | 0.025* | |
| C16 | 0.3654 (5) | 0.3226 (3) | 0.8703 (2) | 0.0198 (11) | |
| H16 | 0.3825 | 0.3628 | 0.8414 | 0.024* | |
| C17 | 0.4333 (5) | 0.3259 (3) | 0.9281 (2) | 0.0220 (11) | |
| C18 | 0.4101 (6) | 0.2650 (3) | 0.9700 (2) | 0.0237 (11) | |
| H18 | 0.4579 | 0.2666 | 1.0084 | 0.028* | |
| C19 | 0.3168 (5) | 0.2020 (3) | 0.9553 (2) | 0.0214 (11) | |
| H19 | 0.3018 | 0.1614 | 0.9841 | 0.026* |