| x | y | z | Uiso*/Ueq | ||
| C1 | 0.1925 (3) | 0.2637 (10) | 0.3175 (3) | 0.0447 (12) | |
| C2 | 0.1516 (3) | 0.0564 (11) | 0.2629 (3) | 0.0489 (12) | |
| C3 | 0.0969 (3) | −0.0806 (10) | 0.2900 (3) | 0.0495 (13) | |
| H3 | 0.0702 | −0.2192 | 0.2528 | 0.059* | |
| C4 | 0.0806 (2) | −0.0190 (10) | 0.3702 (3) | 0.0467 (12) | |
| C5 | 0.1227 (2) | 0.1889 (10) | 0.4239 (3) | 0.0472 (12) | |
| H5 | 0.1134 | 0.2321 | 0.4789 | 0.057* | |
| C6 | 0.1770 (2) | 0.3330 (9) | 0.3998 (3) | 0.0410 (11) | |
| C7 | 0.2183 (3) | 0.5467 (10) | 0.4580 (3) | 0.0463 (12) | |
| H7 | 0.2062 | 0.5931 | 0.5110 | 0.056* | |
| C8 | 0.3140 (2) | 0.8812 (9) | 0.4948 (3) | 0.0435 (11) | |
| C9 | 0.3702 (3) | 1.0022 (10) | 0.4659 (3) | 0.0493 (13) | |
| C10 | 0.4154 (3) | 1.2028 (10) | 0.5178 (3) | 0.0538 (14) | |
| H10 | 0.4531 | 1.2807 | 0.4980 | 0.065* | |
| C11 | 0.4039 (3) | 1.2842 (10) | 0.5983 (3) | 0.0496 (13) | |
| C12 | 0.3487 (3) | 1.1723 (10) | 0.6292 (3) | 0.0508 (13) | |
| H12 | 0.3419 | 1.2297 | 0.6843 | 0.061* | |
| C13 | 0.3035 (3) | 0.9738 (10) | 0.5774 (3) | 0.0500 (13) | |
| H13 | 0.2656 | 0.9003 | 0.5976 | 0.060* | |
| C14 | 0.0213 (3) | −0.1709 (12) | 0.3997 (3) | 0.0618 (15) | |
| H14A | −0.0188 | −0.0434 | 0.3918 | 0.093* | |
| H14B | 0.0370 | −0.2233 | 0.4615 | 0.093* | |
| H14C | 0.0079 | −0.3426 | 0.3644 | 0.093* | |
| C15 | 0.1671 (3) | −0.0215 (13) | 0.1781 (3) | 0.0676 (16) | |
| H15 | 0.2055 | 0.0712 | 0.1638 | 0.081* | |
| Cl1 | 0.38664 (8) | 0.8931 (3) | 0.36584 (9) | 0.0671 (5) | |
| Cl2 | 0.46096 (7) | 1.5343 (3) | 0.66358 (9) | 0.0634 (5) | |
| N1 | 0.2710 (2) | 0.6740 (8) | 0.4391 (2) | 0.0464 (10) | |
| O1 | 0.24635 (18) | 0.3927 (7) | 0.2904 (2) | 0.0581 (10) | |
| H1 | 0.2660 | 0.5101 | 0.3282 | 0.087* | |
| O2 | 0.1350 (2) | −0.1956 (9) | 0.1242 (2) | 0.0785 (12) |