| x | y | z | Uiso*/Ueq | ||
| O1 | 1.0387 (4) | 1.1305 (2) | 0.41739 (17) | 0.0228 (5) | |
| O2 | 0.6135 (4) | 0.7350 (3) | 0.08828 (18) | 0.0262 (5) | |
| N1 | 0.8330 (5) | 0.9521 (3) | 0.2591 (2) | 0.0194 (5) | |
| N2 | 1.2481 (5) | 1.2478 (3) | 0.4414 (2) | 0.0252 (6) | |
| C1 | 0.2930 (5) | 0.7387 (3) | 0.3499 (3) | 0.0201 (6) | |
| H1A | 0.3082 | 0.7892 | 0.4256 | 0.024* | |
| C2 | 0.0960 (5) | 0.6240 (3) | 0.3108 (3) | 0.0221 (6) | |
| H2A | −0.0224 | 0.5990 | 0.3593 | 0.026* | |
| C3 | 0.0782 (6) | 0.5468 (4) | 0.1976 (3) | 0.0249 (7) | |
| H3A | −0.0529 | 0.4691 | 0.1710 | 0.030* | |
| C4 | 0.2512 (6) | 0.5831 (4) | 0.1235 (3) | 0.0250 (7) | |
| H4A | 0.2362 | 0.5296 | 0.0484 | 0.030* | |
| C5 | 0.4491 (5) | 0.7008 (3) | 0.1626 (2) | 0.0199 (6) | |
| C6 | 0.4711 (5) | 0.7802 (3) | 0.2771 (2) | 0.0186 (6) | |
| C7 | 0.6723 (5) | 0.9024 (3) | 0.3225 (2) | 0.0191 (6) | |
| H7A | 0.6859 | 0.9462 | 0.3992 | 0.023* | |
| C8 | 1.0225 (5) | 1.0682 (3) | 0.3052 (2) | 0.0176 (6) | |
| C9 | 1.2091 (5) | 1.1366 (3) | 0.2539 (2) | 0.0192 (6) | |
| C10 | 1.3428 (5) | 1.2479 (3) | 0.3446 (2) | 0.0195 (6) | |
| C11 | 1.2629 (6) | 1.1010 (4) | 0.1327 (3) | 0.0276 (7) | |
| H11A | 1.1457 | 1.0163 | 0.0921 | 0.041* | |
| H11C | 1.4305 | 1.0685 | 0.1229 | 0.041* | |
| H11D | 1.2470 | 1.1953 | 0.1051 | 0.041* | |
| C12 | 1.5687 (5) | 1.3582 (4) | 0.3386 (3) | 0.0243 (7) | |
| H12A | 1.6191 | 1.4202 | 0.4124 | 0.036* | |
| H12D | 1.5285 | 1.4287 | 0.2920 | 0.036* | |
| H12B | 1.7034 | 1.2963 | 0.3075 | 0.036* | |
| H1O2 | 0.722 (11) | 0.820 (7) | 0.132 (5) | 0.080 (18)* |