x | y | z | Uiso*/Ueq | ||
S1 | 0.5000 | 1.0000 | −0.13764 (18) | 0.0590 (4) | |
Cl1 | 0.15354 (6) | 0.67176 (16) | 0.4970 (2) | 0.1059 (5) | |
N1 | 0.41391 (14) | 0.6958 (3) | −0.0839 (5) | 0.0612 (8) | |
C2 | 0.43185 (16) | 0.7244 (4) | −0.2735 (6) | 0.0589 (10) | |
H2A | 0.4204 | 0.6496 | −0.3812 | 0.071* | |
C3 | 0.46969 (15) | 0.8689 (4) | −0.3311 (5) | 0.0544 (9) | |
C4 | 0.48309 (16) | 0.9247 (4) | −0.5338 (5) | 0.0640 (10) | |
H4A | 0.4711 | 0.8688 | −0.6581 | 0.077* | |
C5 | 0.37559 (18) | 0.5438 (4) | −0.0520 (7) | 0.0677 (11) | |
H5A | 0.3625 | 0.5021 | −0.1927 | 0.081* | |
C6 | 0.4148 (2) | 0.4087 (5) | 0.0553 (9) | 0.0986 (17) | |
H6A | 0.4484 | 0.3803 | −0.0369 | 0.148* | |
H6B | 0.3905 | 0.3098 | 0.0810 | 0.148* | |
H6C | 0.4302 | 0.4509 | 0.1892 | 0.148* | |
C7 | 0.31964 (17) | 0.5839 (4) | 0.0796 (5) | 0.0555 (9) | |
C8 | 0.26313 (19) | 0.5202 (5) | 0.0255 (7) | 0.0701 (10) | |
H8A | 0.2593 | 0.4575 | −0.0999 | 0.084* | |
C9 | 0.21198 (19) | 0.5464 (5) | 0.1512 (7) | 0.0735 (11) | |
H9A | 0.1744 | 0.5020 | 0.1109 | 0.088* | |
C10 | 0.21746 (18) | 0.6384 (5) | 0.3351 (6) | 0.0640 (10) | |
C11 | 0.2728 (2) | 0.7062 (5) | 0.3945 (6) | 0.0691 (10) | |
H11A | 0.2761 | 0.7692 | 0.5199 | 0.083* | |
C12 | 0.32346 (18) | 0.6802 (4) | 0.2665 (5) | 0.0623 (9) | |
H12A | 0.3607 | 0.7276 | 0.3056 | 0.075* |