x | y | z | Uiso*/Ueq | ||
O1 | 0.07812 (3) | 0.16597 (12) | 0.32634 (6) | 0.0191 (2) | |
N2 | 0.03227 (4) | 0.11655 (14) | 0.43722 (7) | 0.0155 (2) | |
H2 | 0.0261 (6) | 0.151 (2) | 0.4964 (12) | 0.023* | |
N3 | 0.00327 (4) | −0.07477 (14) | 0.38183 (7) | 0.0155 (2) | |
H3A | 0.0319 (7) | −0.162 (2) | 0.3826 (12) | 0.023* | |
H3B | −0.0235 (6) | −0.037 (2) | 0.3076 (13) | 0.023* | |
N1 | 0.18614 (4) | 0.97723 (15) | 0.64989 (8) | 0.0218 (3) | |
C5 | 0.08706 (4) | 0.50333 (16) | 0.56022 (8) | 0.0147 (2) | |
H5 | 0.060886 | 0.428200 | 0.582134 | 0.018* | |
C6 | 0.11601 (4) | 0.68522 (16) | 0.61942 (8) | 0.0155 (2) | |
H6 | 0.109206 | 0.733294 | 0.680648 | 0.019* | |
C1 | 0.15565 (4) | 0.80037 (16) | 0.58975 (8) | 0.0156 (2) | |
C2 | 0.16280 (5) | 0.72556 (17) | 0.49598 (9) | 0.0174 (3) | |
H2A | 0.188258 | 0.801208 | 0.472528 | 0.021* | |
C4 | 0.09528 (4) | 0.42708 (16) | 0.46894 (8) | 0.0144 (2) | |
C3 | 0.13326 (5) | 0.54379 (17) | 0.43786 (9) | 0.0166 (2) | |
H3 | 0.138925 | 0.496951 | 0.375132 | 0.020* | |
C7 | 0.06791 (4) | 0.22760 (16) | 0.40464 (8) | 0.0141 (2) | |
C8 | 0.17404 (5) | 1.06515 (18) | 0.73873 (9) | 0.0210 (3) | |
H8A | 0.131656 | 1.116555 | 0.704356 | 0.032* | |
H8B | 0.202237 | 1.183084 | 0.776385 | 0.032* | |
H8C | 0.180052 | 0.955197 | 0.795469 | 0.032* | |
C9 | 0.22406 (5) | 1.09916 (18) | 0.61407 (10) | 0.0222 (3) | |
H9A | 0.258398 | 1.011548 | 0.620994 | 0.033* | |
H9B | 0.239960 | 1.224711 | 0.662961 | 0.033* | |
H9C | 0.199403 | 1.143461 | 0.534079 | 0.033* |