x | y | z | Uiso*/Ueq | ||
Br1 | 0.418223 (9) | −0.36757 (5) | 0.230618 (14) | 0.01800 (9) | |
O1 | 0.33754 (6) | −0.2340 (4) | 0.04409 (11) | 0.0205 (4) | |
O2 | 0.09326 (6) | 0.3711 (4) | 0.06453 (11) | 0.0219 (4) | |
O3 | 0.12126 (7) | 0.6341 (3) | 0.15486 (11) | 0.0224 (4) | |
N1 | 0.34163 (8) | 0.0629 (4) | 0.13870 (13) | 0.0177 (5) | |
N2 | 0.12933 (8) | 0.4612 (4) | 0.11152 (12) | 0.0175 (5) | |
C1 | 0.44903 (10) | −0.3344 (5) | 0.05532 (15) | 0.0205 (6) | |
H1A | 0.4520 | −0.2507 | 0.0008 | 0.031* | |
H1B | 0.4251 | −0.4681 | 0.0461 | 0.031* | |
H1C | 0.4860 | −0.3844 | 0.0756 | 0.031* | |
C2 | 0.42421 (9) | −0.1793 (5) | 0.12266 (14) | 0.0156 (5) | |
C3 | 0.46064 (9) | 0.0238 (5) | 0.14342 (16) | 0.0209 (6) | |
H3A | 0.4986 | −0.0283 | 0.1564 | 0.031* | |
H3B | 0.4465 | 0.1044 | 0.1937 | 0.031* | |
H3C | 0.4605 | 0.1275 | 0.0937 | 0.031* | |
C4 | 0.36323 (9) | −0.1220 (5) | 0.09765 (14) | 0.0143 (5) | |
C5 | 0.28757 (9) | 0.1555 (5) | 0.12844 (14) | 0.0133 (5) | |
C6 | 0.24391 (9) | 0.0415 (5) | 0.08499 (14) | 0.0156 (5) | |
H6 | 0.2497 | −0.1040 | 0.0595 | 0.019* | |
C7 | 0.19187 (9) | 0.1446 (5) | 0.07971 (14) | 0.0154 (5) | |
H7 | 0.1618 | 0.0700 | 0.0503 | 0.018* | |
C8 | 0.18422 (9) | 0.3543 (5) | 0.11722 (14) | 0.0135 (5) | |
C9 | 0.22692 (9) | 0.4702 (5) | 0.16051 (14) | 0.0158 (5) | |
H9 | 0.2208 | 0.6157 | 0.1857 | 0.019* | |
C10 | 0.27856 (9) | 0.3680 (5) | 0.16594 (14) | 0.0150 (5) | |
H10 | 0.3083 | 0.4438 | 0.1957 | 0.018* | |
H1N | 0.3624 (11) | 0.132 (5) | 0.1742 (17) | 0.028 (8)* |