| x | y | z | Uiso*/Ueq | ||
| C1 | 0.2798 (6) | 0.1171 (5) | 0.4095 (4) | 0.0645 (10) | |
| H1A | 0.4024 | 0.2283 | 0.4846 | 0.097* | |
| H1B | 0.2871 | 0.0023 | 0.4122 | 0.097* | |
| H1C | 0.1582 | 0.1095 | 0.4419 | 0.097* | |
| C2 | 0.2591 (4) | 0.2904 (4) | 0.2229 (3) | 0.0400 (6) | |
| C3 | 0.2433 (4) | 0.4234 (4) | −0.0116 (3) | 0.0351 (6) | |
| C4 | 0.2670 (4) | 0.5997 (4) | 0.0750 (3) | 0.0391 (6) | |
| H4 | 0.2853 | 0.6318 | 0.1891 | 0.047* | |
| C5 | 0.2633 (4) | 0.7260 (4) | −0.0091 (3) | 0.0399 (6) | |
| H5 | 0.2796 | 0.8445 | 0.0481 | 0.048* | |
| C6 | 0.2355 (4) | 0.6774 (4) | −0.1782 (3) | 0.0377 (6) | |
| C7 | 0.2141 (5) | 0.5042 (4) | −0.2666 (3) | 0.0427 (7) | |
| H7 | 0.1979 | 0.4739 | −0.3804 | 0.051* | |
| C8 | 0.2173 (4) | 0.3786 (4) | −0.1826 (3) | 0.0415 (7) | |
| H8 | 0.2018 | 0.2607 | −0.2405 | 0.050* | |
| N2 | 0.2288 (4) | 0.8111 (4) | −0.2670 (3) | 0.0479 (6) | |
| N1 | 0.2450 (4) | 0.2846 (4) | 0.0624 (3) | 0.0436 (6) | |
| O1 | 0.2673 (4) | 0.1340 (3) | 0.2437 (2) | 0.0538 (6) | |
| O2 | 0.2635 (4) | 0.4136 (3) | 0.3310 (2) | 0.0545 (6) | |
| O3 | 0.2327 (4) | 0.9584 (3) | −0.1911 (3) | 0.0695 (7) | |
| O4 | 0.2176 (4) | 0.7718 (4) | −0.4139 (3) | 0.0733 (8) | |
| H1 | 0.235 (5) | 0.187 (5) | 0.001 (4) | 0.059 (10)* |