| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.62862 (4) | 0.03256 (4) | 0.08928 (2) | 0.03631 (13) | |
| O1 | 0.58185 (10) | −0.16571 (10) | 0.24044 (7) | 0.0297 (2) | |
| N1 | 0.75320 (11) | 0.03812 (12) | 0.56187 (8) | 0.0237 (2) | |
| N2 | 0.66086 (12) | −0.00754 (12) | 0.36497 (8) | 0.0244 (2) | |
| C1 | 0.82553 (13) | 0.04592 (14) | 0.65699 (10) | 0.0230 (3) | |
| C2 | 0.76046 (14) | −0.02277 (14) | 0.72590 (10) | 0.0276 (3) | |
| H2 | 0.6724 | −0.0739 | 0.7082 | 0.033* | |
| C3 | 0.82561 (16) | −0.01541 (15) | 0.81981 (11) | 0.0312 (3) | |
| H3 | 0.7815 | −0.0627 | 0.8646 | 0.037* | |
| C4 | 0.95649 (16) | 0.06196 (16) | 0.84812 (10) | 0.0311 (3) | |
| H4 | 1.0004 | 0.0664 | 0.9113 | 0.037* | |
| C5 | 1.02012 (14) | 0.13211 (15) | 0.78058 (10) | 0.0299 (3) | |
| H5 | 1.1069 | 0.1854 | 0.7989 | 0.036* | |
| C6 | 0.95647 (13) | 0.12419 (15) | 0.68604 (10) | 0.0253 (3) | |
| H6 | 1.0013 | 0.1714 | 0.6416 | 0.030* | |
| C7 | 0.80673 (14) | 0.13837 (14) | 0.49496 (10) | 0.0256 (3) | |
| H7A | 0.8961 | 0.0961 | 0.4821 | 0.031* | |
| H7B | 0.8263 | 0.2419 | 0.5215 | 0.031* | |
| C8 | 0.69545 (14) | 0.14856 (14) | 0.40466 (10) | 0.0266 (3) | |
| H8A | 0.6084 | 0.1975 | 0.4170 | 0.032* | |
| H8B | 0.7325 | 0.2128 | 0.3597 | 0.032* | |
| C9 | 0.61886 (13) | −0.11941 (14) | 0.43097 (10) | 0.0250 (3) | |
| H9A | 0.6128 | −0.2231 | 0.4035 | 0.030* | |
| H9B | 0.5242 | −0.0921 | 0.4425 | 0.030* | |
| C10 | 0.72706 (13) | −0.12050 (14) | 0.52343 (10) | 0.0256 (3) | |
| H10A | 0.6908 | −0.1857 | 0.5683 | 0.031* | |
| H10B | 0.8174 | −0.1650 | 0.5137 | 0.031* | |
| C11 | 0.63200 (13) | −0.03982 (14) | 0.27233 (10) | 0.0237 (3) | |
| C12 | 0.66787 (14) | 0.08973 (15) | 0.20873 (9) | 0.0272 (3) | |
| H12A | 0.7695 | 0.1158 | 0.2266 | 0.033* | |
| H12B | 0.6124 | 0.1823 | 0.2169 | 0.033* |