| x | y | z | Uiso*/Ueq | ||
| S1 | 0.20405 (9) | 0.73591 (5) | 0.16994 (5) | 0.0405 (2) | |
| O1 | −0.1351 (2) | 0.60921 (12) | 0.17935 (15) | 0.0442 (4) | |
| O2 | −0.0551 (3) | 0.52930 (13) | 0.35384 (16) | 0.0487 (5) | |
| N1 | 0.5470 (3) | 0.83735 (15) | 0.20206 (18) | 0.0416 (5) | |
| N2 | 0.3157 (4) | 0.58481 (17) | 0.46991 (19) | 0.0429 (5) | |
| H1N2 | 0.215 (4) | 0.5502 (18) | 0.481 (2) | 0.032 (7)* | |
| H2N2 | 0.407 (4) | 0.593 (2) | 0.519 (3) | 0.049 (8)* | |
| C1 | 0.7139 (4) | 0.8539 (2) | 0.2686 (2) | 0.0461 (6) | |
| H1 | 0.8010 | 0.9013 | 0.2419 | 0.055* | |
| C2 | 0.7661 (4) | 0.8045 (2) | 0.3756 (2) | 0.0468 (6) | |
| H2 | 0.8851 | 0.8192 | 0.4184 | 0.056* | |
| C3 | 0.6422 (4) | 0.73450 (18) | 0.4178 (2) | 0.0394 (6) | |
| H3 | 0.6751 | 0.7009 | 0.4894 | 0.047* | |
| C4 | 0.4659 (3) | 0.71448 (16) | 0.35153 (19) | 0.0326 (5) | |
| C5 | 0.3088 (3) | 0.64550 (16) | 0.3736 (2) | 0.0333 (5) | |
| C6 | 0.1607 (3) | 0.64942 (17) | 0.2830 (2) | 0.0348 (5) | |
| C7 | 0.4275 (3) | 0.76841 (17) | 0.2448 (2) | 0.0344 (5) | |
| C8 | −0.0161 (4) | 0.59041 (17) | 0.2784 (2) | 0.0363 (5) | |
| C9 | −0.3115 (4) | 0.5493 (2) | 0.1610 (2) | 0.0457 (6) | |
| H9A | −0.4178 | 0.5864 | 0.1209 | 0.055* | |
| H9B | −0.3587 | 0.5280 | 0.2398 | 0.055* | |
| C10 | −0.2633 (4) | 0.4637 (2) | 0.0840 (3) | 0.0527 (7) | |
| H10A | −0.2104 | 0.4849 | 0.0076 | 0.079* | |
| H10B | −0.3832 | 0.4268 | 0.0684 | 0.079* | |
| H10C | −0.1653 | 0.4245 | 0.1267 | 0.079* |