| x | y | z | Uiso*/Ueq | ||
| N1 | 0.95971 (8) | 0.23656 (4) | 0.20204 (8) | 0.01244 (12) | |
| H1 | 0.946 (2) | 0.2147 (12) | 0.087 (3) | 0.080* | |
| N3 | 0.79681 (9) | −0.00660 (5) | 0.33122 (9) | 0.01989 (14) | |
| N4 | 0.97866 (9) | 0.20303 (5) | 0.83076 (8) | 0.01915 (14) | |
| N5 | 1.08587 (9) | 0.39994 (5) | 0.14988 (8) | 0.01601 (13) | |
| N6 | 1.15492 (9) | 0.48197 (5) | 0.22731 (9) | 0.01800 (14) | |
| N7 | 1.21954 (11) | 0.55869 (5) | 0.27860 (11) | 0.02869 (17) | |
| N2 | 1.05744 (8) | 0.33629 (4) | 0.44841 (8) | 0.01346 (13) | |
| C1 | 0.92901 (9) | 0.17977 (5) | 0.34810 (8) | 0.01148 (13) | |
| C2 | 0.98919 (9) | 0.24295 (5) | 0.49778 (8) | 0.01203 (13) | |
| C3 | 1.03672 (9) | 0.32810 (5) | 0.27026 (9) | 0.01232 (13) | |
| C4 | 0.85397 (9) | 0.07743 (5) | 0.33564 (9) | 0.01397 (13) | |
| C5 | 0.98406 (9) | 0.22016 (5) | 0.68201 (9) | 0.01401 (14) |