| x | y | z | Uiso*/Ueq | ||
| O1 | 0.26886 (13) | 0.5359 (5) | 0.70037 (19) | 0.0337 (8) | |
| N1 | 0.24323 (17) | 0.4502 (6) | 0.5190 (3) | 0.0374 (9) | |
| N2 | 0.29187 (16) | 0.6544 (6) | 0.5435 (2) | 0.0334 (9) | |
| C1 | 0.2307 (2) | 0.3862 (7) | 0.6126 (3) | 0.0322 (10) | |
| C2 | 0.30560 (19) | 0.6981 (7) | 0.6502 (3) | 0.0299 (10) | |
| C3 | 0.18313 (19) | 0.1875 (8) | 0.6309 (3) | 0.0306 (10) | |
| C4 | 0.1822 (2) | 0.1219 (7) | 0.7391 (3) | 0.0330 (10) | |
| H4 | 0.2132 | 0.2077 | 0.8027 | 0.040* | |
| C5 | 0.1364 (2) | −0.0672 (8) | 0.7541 (3) | 0.0354 (10) | |
| H5 | 0.1369 | −0.1109 | 0.8285 | 0.042* | |
| C6 | 0.0898 (2) | −0.1957 (8) | 0.6643 (3) | 0.0344 (10) | |
| C7 | 0.0919 (2) | −0.1274 (8) | 0.5552 (3) | 0.0413 (11) | |
| H7 | 0.0606 | −0.2120 | 0.4917 | 0.050* | |
| C8 | 0.1378 (2) | 0.0573 (8) | 0.5385 (3) | 0.0374 (11) | |
| H8 | 0.1388 | 0.0967 | 0.4643 | 0.045* | |
| C9 | 0.0394 (2) | −0.3978 (8) | 0.6791 (3) | 0.0421 (11) | |
| H9A | 0.0416 | −0.4078 | 0.7588 | 0.063* | |
| H9B | 0.0524 | −0.5665 | 0.6544 | 0.063* | |
| H9C | −0.0090 | −0.3520 | 0.6339 | 0.063* | |
| C10 | 0.35306 (19) | 0.8918 (7) | 0.7193 (3) | 0.0307 (10) | |
| C11 | 0.3641 (2) | 0.9055 (7) | 0.8354 (3) | 0.0368 (11) | |
| H11 | 0.3400 | 0.7895 | 0.8708 | 0.044* | |
| C12 | 0.4102 (2) | 1.0888 (8) | 0.8982 (3) | 0.0400 (11) | |
| H12 | 0.4191 | 1.0945 | 0.9776 | 0.048* | |
| C13 | 0.4437 (2) | 1.2640 (8) | 0.8470 (3) | 0.0392 (11) | |
| H13 | 0.4743 | 1.3924 | 0.8910 | 0.047* | |
| C14 | 0.4327 (2) | 1.2533 (7) | 0.7316 (3) | 0.0347 (10) | |
| H14 | 0.4565 | 1.3710 | 0.6964 | 0.042* | |
| C15 | 0.3871 (2) | 1.0705 (7) | 0.6692 (3) | 0.0344 (10) | |
| H15 | 0.3785 | 1.0657 | 0.5898 | 0.041* |