| x | y | z | Uiso*/Ueq | ||
| N1 | −0.01319 (14) | 1.0261 (2) | 0.9413 (2) | 0.0605 (5) | |
| H1 | −0.0087 | 1.0928 | 1.0004 | 0.073* | |
| N2 | 0.11909 (10) | 0.60749 (18) | 0.83997 (15) | 0.0393 (4) | |
| N3 | 0.05128 (10) | 0.62465 (17) | 0.65920 (15) | 0.0381 (4) | |
| O1 | 0.14925 (11) | 0.64081 (18) | 0.94892 (14) | 0.0579 (4) | |
| O2 | 0.01465 (11) | 0.68277 (17) | 0.56075 (14) | 0.0545 (4) | |
| C1 | −0.08282 (15) | 1.0156 (2) | 0.8579 (2) | 0.0534 (6) | |
| C2 | −0.16017 (18) | 1.1028 (3) | 0.8506 (3) | 0.0731 (8) | |
| H2 | −0.1707 | 1.1825 | 0.9064 | 0.088* | |
| C3 | −0.21965 (16) | 1.0666 (3) | 0.7587 (4) | 0.0795 (9) | |
| H3 | −0.2715 | 1.1234 | 0.7516 | 0.095* | |
| C4 | −0.20480 (15) | 0.9465 (3) | 0.6750 (3) | 0.0692 (7) | |
| H4 | −0.2463 | 0.9255 | 0.6126 | 0.083* | |
| C5 | −0.12892 (14) | 0.8583 (2) | 0.6839 (2) | 0.0529 (6) | |
| H5 | −0.1201 | 0.7769 | 0.6292 | 0.063* | |
| C6 | −0.06560 (13) | 0.8930 (2) | 0.7760 (2) | 0.0442 (5) | |
| C7 | 0.01895 (13) | 0.8304 (2) | 0.81520 (18) | 0.0407 (5) | |
| C8 | 0.04679 (15) | 0.9165 (2) | 0.9167 (2) | 0.0515 (5) | |
| H8 | 0.0991 | 0.9010 | 0.9614 | 0.062* | |
| C9 | 0.06218 (12) | 0.6932 (2) | 0.77161 (18) | 0.0363 (4) | |
| C10 | 0.15347 (12) | 0.4734 (2) | 0.76668 (19) | 0.0385 (4) | |
| C11 | 0.24518 (16) | 0.5183 (2) | 0.7176 (2) | 0.0523 (5) | |
| H11A | 0.2395 | 0.6018 | 0.6597 | 0.079* | |
| H11B | 0.2715 | 0.4328 | 0.6752 | 0.079* | |
| H11C | 0.2821 | 0.5483 | 0.7870 | 0.079* | |
| C12 | 0.15962 (15) | 0.3356 (2) | 0.8531 (2) | 0.0516 (5) | |
| H12A | 0.2043 | 0.3532 | 0.9158 | 0.077* | |
| H12B | 0.1749 | 0.2471 | 0.8045 | 0.077* | |
| H12C | 0.1035 | 0.3195 | 0.8936 | 0.077* | |
| C13 | 0.08199 (13) | 0.4624 (2) | 0.66190 (19) | 0.0381 (4) | |
| C14 | 0.00154 (14) | 0.3668 (2) | 0.6989 (2) | 0.0516 (5) | |
| H14A | −0.0183 | 0.3965 | 0.7813 | 0.077* | |
| H14B | 0.0176 | 0.2609 | 0.6997 | 0.077* | |
| H14C | −0.0453 | 0.3829 | 0.6391 | 0.077* | |
| C15 | 0.11578 (16) | 0.4160 (3) | 0.5331 (2) | 0.0556 (6) | |
| H15A | 0.0674 | 0.4150 | 0.4743 | 0.083* | |
| H15B | 0.1415 | 0.3161 | 0.5379 | 0.083* | |
| H15C | 0.1598 | 0.4876 | 0.5054 | 0.083* |