x | y | z | Uiso*/Ueq | ||
Br1 | −0.36755 (9) | 1.09036 (8) | 0.95218 (6) | 0.0603 (4) | |
Br2 | −0.19725 (9) | 0.54059 (7) | 1.04896 (6) | 0.0557 (3) | |
Cl1 | 0.3094 (2) | 1.28217 (17) | 0.81645 (14) | 0.0580 (6) | |
O1 | −0.1788 (5) | 1.0664 (4) | 0.8816 (3) | 0.0443 (14) | |
H1 | −0.1429 | 1.0532 | 0.8531 | 0.067* | |
O2 | 0.0171 (5) | 1.1554 (5) | 0.7617 (4) | 0.0543 (15) | |
O3 | 0.2494 (6) | 0.7016 (5) | 0.8572 (4) | 0.0560 (16) | |
H3A | 0.1924 | 0.6511 | 0.8203 | 0.084* | |
N1 | 0.0034 (6) | 0.9492 (5) | 0.8546 (4) | 0.0373 (16) | |
N2 | 0.0939 (6) | 0.9488 (5) | 0.8251 (4) | 0.0388 (16) | |
C1 | −0.0946 (7) | 0.8351 (6) | 0.9261 (4) | 0.0325 (16) | |
C2 | −0.1773 (7) | 0.9478 (5) | 0.9204 (4) | 0.0307 (16) | |
C3 | −0.2590 (7) | 0.9362 (6) | 0.9571 (5) | 0.0374 (18) | |
C4 | −0.2624 (7) | 0.8177 (6) | 0.9961 (5) | 0.0400 (19) | |
H4 | −0.3182 | 0.8124 | 1.0200 | 0.048* | |
C5 | −0.1835 (7) | 0.7073 (6) | 0.9999 (5) | 0.0386 (18) | |
C6 | −0.0988 (7) | 0.7157 (6) | 0.9662 (5) | 0.0389 (19) | |
H6 | −0.0438 | 0.6407 | 0.9702 | 0.047* | |
C7 | 0.0008 (7) | 0.8415 (6) | 0.8926 (5) | 0.0415 (19) | |
H7 | 0.0583 | 0.7672 | 0.8993 | 0.050* | |
C8 | 0.0941 (7) | 1.0545 (6) | 0.7797 (5) | 0.0353 (18) | |
C9 | 0.1906 (7) | 1.0373 (6) | 0.7455 (4) | 0.0357 (17) | |
C10 | 0.2917 (8) | 1.1341 (6) | 0.7595 (5) | 0.0415 (19) | |
C11 | 0.3785 (8) | 1.1138 (7) | 0.7278 (5) | 0.049 (2) | |
H11 | 0.4449 | 1.1799 | 0.7366 | 0.058* | |
C12 | 0.3676 (9) | 0.9973 (8) | 0.6836 (6) | 0.059 (3) | |
H12 | 0.4265 | 0.9842 | 0.6624 | 0.071* | |
C13 | 0.2705 (9) | 0.9004 (7) | 0.6706 (6) | 0.056 (2) | |
H13 | 0.2645 | 0.8205 | 0.6412 | 0.068* | |
C14 | 0.1819 (8) | 0.9187 (7) | 0.7002 (5) | 0.048 (2) | |
H14 | 0.1152 | 0.8521 | 0.6901 | 0.057* | |
C15 | 0.3807 (10) | 0.6749 (9) | 0.8694 (7) | 0.092 (4) | |
H15A | 0.4377 | 0.7555 | 0.8916 | 0.138* | |
H15B | 0.3730 | 0.6508 | 0.8170 | 0.138* | |
H15C | 0.4221 | 0.5998 | 0.9080 | 0.138* | |
H2 | 0.149 (7) | 0.875 (5) | 0.839 (5) | 0.080* |