x | y | z | Uiso*/Ueq | ||
O1 | 0.48195 (18) | 0.6974 (2) | 0.64537 (15) | 0.0609 (4) | |
O2 | 0.63738 (19) | 0.8136 (2) | 0.79722 (16) | 0.0669 (4) | |
C2 | 0.3116 (2) | 0.7317 (2) | 0.89960 (18) | 0.0484 (4) | |
H2 | 0.211812 | 0.676180 | 0.879516 | 0.058* | |
N1 | −0.20475 (19) | 0.72846 (17) | 1.42131 (15) | 0.0504 (4) | |
C5 | 0.1186 (2) | 0.8159 (2) | 1.31387 (18) | 0.0490 (4) | |
H5 | 0.228403 | 0.862808 | 1.329376 | 0.059* | |
C4 | 0.1149 (2) | 0.76641 (18) | 1.16689 (16) | 0.0426 (3) | |
C7 | −0.2089 (2) | 0.6805 (2) | 1.28079 (19) | 0.0507 (4) | |
H7 | −0.320055 | 0.632669 | 1.269716 | 0.061* | |
C1 | 0.4937 (2) | 0.75386 (19) | 0.77647 (17) | 0.0477 (4) | |
C3 | 0.2868 (2) | 0.7884 (2) | 1.03649 (18) | 0.0456 (3) | |
H3 | 0.386535 | 0.847081 | 1.051782 | 0.055* | |
C8 | −0.0552 (2) | 0.6991 (2) | 1.15114 (18) | 0.0483 (4) | |
H8 | −0.065343 | 0.666782 | 1.054192 | 0.058* | |
C6 | −0.0433 (3) | 0.7943 (2) | 1.43650 (18) | 0.0524 (4) | |
H6 | −0.038863 | 0.827444 | 1.534078 | 0.063* | |
H1 | 0.600 (4) | 0.713 (4) | 0.561 (3) | 0.099 (8)* |