x | y | z | Uiso*/Ueq | ||
S1 | 0.56616 (3) | 0.52832 (7) | 0.394981 (16) | 0.01717 (12) | |
O1 | 0.35822 (8) | −0.1192 (2) | 0.25706 (5) | 0.0181 (2) | |
N1 | 0.45653 (9) | 0.1596 (2) | 0.32532 (6) | 0.0149 (2) | |
H1n | 0.4357 (15) | 0.305 (4) | 0.4827 (11) | 0.029 (5)* | |
N2 | 0.42228 (9) | 0.2138 (2) | 0.44293 (6) | 0.0161 (2) | |
C1 | 0.37571 (11) | −0.0266 (3) | 0.31493 (7) | 0.0150 (3) | |
C2 | 0.31942 (10) | −0.0982 (3) | 0.37768 (7) | 0.0156 (3) | |
C3 | 0.24261 (10) | −0.2920 (3) | 0.37432 (7) | 0.0173 (3) | |
H3 | 0.2250 | −0.3722 | 0.3307 | 0.021* | |
C4 | 0.19179 (11) | −0.3686 (3) | 0.43408 (7) | 0.0182 (3) | |
C5 | 0.22073 (11) | −0.2484 (3) | 0.49797 (7) | 0.0195 (3) | |
H5 | 0.1871 | −0.3001 | 0.5394 | 0.023* | |
C6 | 0.29690 (11) | −0.0568 (3) | 0.50213 (7) | 0.0179 (3) | |
H6 | 0.3156 | 0.0210 | 0.5459 | 0.021* | |
C7 | 0.34592 (11) | 0.0206 (3) | 0.44129 (7) | 0.0156 (3) | |
C9 | 0.47714 (10) | 0.2888 (3) | 0.38744 (7) | 0.0149 (3) | |
C8 | 0.10873 (12) | −0.5770 (3) | 0.42997 (8) | 0.0229 (3) | |
H8A | 0.1314 | −0.7176 | 0.3993 | 0.034* | |
H8B | 0.0432 | −0.5024 | 0.4110 | 0.034* | |
H8C | 0.0976 | −0.6465 | 0.4769 | 0.034* | |
C10 | 0.52338 (10) | 0.2014 (3) | 0.26589 (7) | 0.0154 (3) | |
C11 | 0.60838 (11) | 0.0364 (3) | 0.25902 (8) | 0.0188 (3) | |
H11 | 0.6233 | −0.0942 | 0.2931 | 0.023* | |
C12 | 0.67148 (12) | 0.0652 (3) | 0.20130 (8) | 0.0208 (3) | |
H12 | 0.7303 | −0.0452 | 0.1959 | 0.025* | |
C13 | 0.64818 (11) | 0.2554 (3) | 0.15178 (7) | 0.0208 (3) | |
H13 | 0.6910 | 0.2746 | 0.1124 | 0.025* | |
C14 | 0.56249 (12) | 0.4182 (3) | 0.15946 (7) | 0.0217 (3) | |
H14 | 0.5471 | 0.5485 | 0.1254 | 0.026* | |
C15 | 0.49894 (11) | 0.3912 (3) | 0.21705 (7) | 0.0193 (3) | |
H15 | 0.4400 | 0.5013 | 0.2225 | 0.023* |