| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.77503 (10) | 0.17566 (2) | −0.30608 (7) | 0.01931 (14) | |
| F1 | 0.6479 (3) | 0.24323 (5) | 0.0088 (2) | 0.0285 (3) | |
| N1 | 0.0845 (4) | 0.04180 (7) | 0.2962 (2) | 0.0165 (3) | |
| C1 | 0.4139 (4) | 0.17032 (8) | 0.1460 (3) | 0.0170 (4) | |
| H1A | 0.3865 | 0.1959 | 0.2417 | 0.020* | |
| C2 | 0.5544 (4) | 0.18819 (8) | 0.0072 (3) | 0.0178 (4) | |
| C3 | 0.6002 (4) | 0.15091 (8) | −0.1355 (3) | 0.0162 (4) | |
| C4 | 0.5045 (4) | 0.09402 (8) | −0.1403 (3) | 0.0166 (4) | |
| H4A | 0.5381 | 0.0684 | −0.2340 | 0.020* | |
| C5 | 0.3581 (4) | 0.07550 (8) | −0.0045 (3) | 0.0158 (4) | |
| H5A | 0.2890 | 0.0376 | −0.0100 | 0.019* | |
| C6 | 0.3139 (4) | 0.11314 (8) | 0.1400 (3) | 0.0146 (3) | |
| C7 | 0.1624 (4) | 0.09406 (8) | 0.2865 (3) | 0.0153 (4) | |
| H7A | 0.1227 | 0.1210 | 0.3742 | 0.018* | |
| C8 | −0.0692 (4) | 0.02721 (8) | 0.4438 (3) | 0.0154 (4) | |
| H8A | −0.2811 | 0.0208 | 0.3775 | 0.019* | |
| H8B | −0.0510 | 0.0590 | 0.5372 | 0.019* |