| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.27001 (12) | 0.38397 (9) | 0.55435 (6) | 0.0897 (3) | |
| C1 | 0.2612 (3) | 0.1851 (3) | 0.52481 (19) | 0.0585 (5) | |
| C2 | 0.2496 (3) | 0.1772 (2) | 0.40780 (17) | 0.0483 (5) | |
| C3 | 0.2386 (3) | 0.0133 (2) | 0.38625 (17) | 0.0485 (5) | |
| C4 | 0.2470 (3) | −0.1014 (3) | 0.59315 (19) | 0.0655 (6) | |
| H4 | 0.2468 | −0.1895 | 0.6599 | 0.079* | |
| N1 | 0.2346 (3) | −0.1270 (2) | 0.48527 (16) | 0.0600 (5) | |
| N2 | 0.2610 (3) | 0.0465 (3) | 0.62119 (16) | 0.0694 (6) | |
| C5 | 0.2510 (3) | 0.1072 (2) | 0.16239 (18) | 0.0544 (5) | |
| C6 | 0.4329 (4) | 0.1522 (3) | 0.1186 (2) | 0.0716 (7) | |
| H6 | 0.5428 | 0.1063 | 0.1631 | 0.086* | |
| C7 | 0.4528 (5) | 0.2692 (4) | 0.0051 (3) | 0.0954 (9) | |
| H7 | 0.5759 | 0.3000 | −0.0227 | 0.114* | |
| C8 | 0.2935 (6) | 0.3371 (4) | −0.0638 (2) | 0.1037 (11) | |
| H8 | 0.3077 | 0.4122 | −0.1381 | 0.124* | |
| C9 | 0.1135 (6) | 0.2917 (4) | −0.0205 (3) | 0.1034 (11) | |
| H9 | 0.0043 | 0.3376 | −0.0656 | 0.124* | |
| C10 | 0.0897 (4) | 0.1749 (3) | 0.0930 (2) | 0.0817 (8) | |
| H10 | −0.0337 | 0.1445 | 0.1202 | 0.098* | |
| C11 | 0.2102 (5) | −0.1969 (3) | 0.2719 (3) | 0.0965 (10) | |
| H11A | 0.3338 | −0.2570 | 0.2895 | 0.145* | |
| H11B | 0.1728 | −0.1948 | 0.1917 | 0.145* | |
| H11C | 0.1136 | −0.2440 | 0.3307 | 0.145* | |
| N4 | 0.2395 (3) | 0.3422 (2) | 0.31108 (16) | 0.0611 (5) | |
| N3 | 0.2279 (3) | −0.0184 (2) | 0.27815 (15) | 0.0610 (5) | |
| O1 | 0.0799 (3) | 0.4051 (2) | 0.27365 (17) | 0.0885 (6) | |
| O2 | 0.3903 (3) | 0.4091 (2) | 0.27659 (17) | 0.0889 (6) |