| x | y | z | Uiso*/Ueq | ||
| Cl1 | −0.39445 (17) | 1.00945 (3) | 0.73436 (9) | 0.0851 (3) | |
| O1 | 0.9734 (4) | 0.73796 (8) | 0.50406 (15) | 0.0610 (5) | |
| N1 | 0.6996 (4) | 0.76768 (8) | 0.67797 (18) | 0.0476 (5) | |
| O2 | 0.8154 (4) | 0.72610 (8) | 0.85960 (14) | 0.0618 (5) | |
| N2 | 0.5245 (4) | 0.80391 (8) | 0.72149 (16) | 0.0465 (5) | |
| C7 | 0.8405 (4) | 0.73021 (9) | 0.75183 (18) | 0.0442 (5) | |
| C1 | 1.0293 (4) | 0.69349 (9) | 0.69718 (18) | 0.0411 (5) | |
| C8 | 0.3878 (5) | 0.83421 (10) | 0.6399 (2) | 0.0507 (6) | |
| H8 | 0.4112 | 0.8294 | 0.5591 | 0.061* | |
| C3 | 1.2815 (5) | 0.66229 (11) | 0.5401 (2) | 0.0531 (6) | |
| H3 | 1.3252 | 0.6657 | 0.4619 | 0.064* | |
| C2 | 1.0942 (4) | 0.69832 (9) | 0.57896 (18) | 0.0423 (5) | |
| C4 | 1.4019 (5) | 0.62186 (11) | 0.6157 (2) | 0.0588 (6) | |
| H4 | 1.5299 | 0.5984 | 0.5892 | 0.071* | |
| C9 | 0.1965 (5) | 0.87608 (10) | 0.6674 (2) | 0.0485 (5) | |
| C6 | 1.1533 (5) | 0.65119 (11) | 0.7705 (2) | 0.0562 (6) | |
| H6 | 1.1112 | 0.6471 | 0.8487 | 0.067* | |
| C13 | −0.0225 (6) | 0.93008 (11) | 0.8045 (3) | 0.0648 (7) | |
| H13 | −0.0453 | 0.9389 | 0.8838 | 0.078* | |
| C14 | 0.1588 (6) | 0.88896 (11) | 0.7845 (2) | 0.0571 (6) | |
| H14 | 0.2561 | 0.8698 | 0.8506 | 0.069* | |
| C12 | −0.1684 (5) | 0.95778 (10) | 0.7069 (3) | 0.0579 (6) | |
| C5 | 1.3350 (6) | 0.61556 (12) | 0.7309 (2) | 0.0623 (7) | |
| H5 | 1.4127 | 0.5873 | 0.7812 | 0.075* | |
| C10 | 0.0436 (6) | 0.90483 (13) | 0.5712 (3) | 0.0713 (8) | |
| H10 | 0.0643 | 0.8963 | 0.4915 | 0.086* | |
| C11 | −0.1375 (6) | 0.94547 (13) | 0.5903 (3) | 0.0763 (9) | |
| H11 | −0.2377 | 0.9644 | 0.5245 | 0.092* | |
| H1 | 1.053 (6) | 0.7435 (12) | 0.449 (2) | 0.081 (10)* | |
| H2 | 0.708 (5) | 0.7692 (10) | 0.607 (2) | 0.051 (7)* |