Skip to main content
. 2015 Sep 26;71(Pt 10):1236–1241. doi: 10.1107/S2056989015017624
x y z Uiso*/Ueq
S1 0.14991 (3) 0.10760 (6) 0.53754 (4) 0.01865 (13)
N1 0.17657 (11) 0.1754 (2) 0.31707 (14) 0.0179 (3)
H1N 0.1468 (14) 0.175 (3) 0.2419 (9) 0.023 (6)*
N2 0.01790 (11) 0.1178 (2) 0.33437 (14) 0.0174 (3)
H2N −0.0236 (13) 0.073 (3) 0.3744 (17) 0.032 (6)*
N3 −0.00516 (11) 0.1118 (2) 0.21071 (13) 0.0177 (3)
C1 0.11491 (13) 0.1348 (2) 0.38949 (16) 0.0158 (4)
C2 0.28274 (13) 0.1793 (2) 0.34532 (16) 0.0174 (4)
C3 0.33249 (14) 0.0928 (3) 0.26883 (17) 0.0218 (4)
H3 0.2955 0.0313 0.2013 0.026*
C4 0.43587 (14) 0.0956 (3) 0.29054 (17) 0.0240 (4)
H4 0.4688 0.0357 0.2374 0.029*
C5 0.49234 (14) 0.1841 (3) 0.38822 (17) 0.0218 (4)
C6 0.44118 (15) 0.2713 (3) 0.46362 (18) 0.0240 (4)
H6 0.4781 0.3329 0.5311 0.029*
C7 0.33772 (14) 0.2703 (3) 0.44266 (17) 0.0221 (4)
H7 0.3046 0.3319 0.4949 0.027*
C8 0.60488 (15) 0.1844 (3) 0.4134 (2) 0.0316 (5)
H8A 0.6299 0.3006 0.4475 0.047*
H8B 0.6271 0.1650 0.3395 0.047*
H8C 0.6307 0.0880 0.4695 0.047*
C9 −0.09645 (13) 0.1333 (2) 0.15732 (16) 0.0163 (4)
C10 −0.18214 (14) 0.1717 (3) 0.21420 (17) 0.0220 (4)
H10A −0.1571 0.2260 0.2922 0.033*
H10B −0.2169 0.0592 0.2233 0.033*
H10C −0.2285 0.2549 0.1643 0.033*
C11 −0.11855 (14) 0.1185 (3) 0.02523 (16) 0.0201 (4)
H11A −0.0561 0.1262 −0.0024 0.030*
H11B −0.1631 0.2166 −0.0096 0.030*
H11C −0.1509 0.0028 0.0011 0.030*