Compound | D-H…A | D-H | H…A | D…A | D-H…A | Symmetrycode |
2 | O4-H4…O3 O4-H4…O5 C8-H8…O2 | 0.82 (2) 0.82 (2) 0.930 (2) | 2.25 (3) 1.97 (2) 2.920 (1) | 2.661 (2) 2.731 (2) 3.431 (2) | 111 (2) 156 (2) 116.1 (1) | x, y, z x, y, z 2 − x, −y, 2 − z |
3 | C8-H8…O5 O1-H1…O2 C8-H8…O2 C9-H9…O2 C12-H12…O3 | 0.930 (1) 0.86 (2) 0.930 (1) 0.930 (2) 0.960 (3) | 2.553 (1) 1.77 (2) 2.612 (1) 2.889 (1) 2.720 (1) | 3.081 (2) 2.635 (2) 3.294 (2) 3.434 (2) 3.348 (3) | 116.4 (1) 179 (2) 130.7 (1) 118.7 (1) 123.61 (1) | x, y, z +3 − x, +1 − y, +1 − z −1 + x, −1 + y, z −1 + x, −1 + y, z +1 − x, +1 − y, +2 − z |
4 | C9-H9…O2 | 0.950 (2) | 2.394 (1) | 3.324 (2) | 165.8 (1) | −x, +1 − y, +1 − z |
6 | C3-H3…O6 C20-H20…O2 C27-H27…O2 C48-H48…O6 C3-H3…O1 C17-H17…O3 C18-H18A…O2 | 0.930 (4) 0.930 (5) 0.931 (4) 0.930 (4) 0.930 (4) 0.959 (6) 0.970 (5) | 2.516 (3) 2.686 (3) 2.526 (3) 2.612 (3) 2.958 (3) 2.685 (3) 2.560 (3) | 3.411 (5) 3.294 (5) 3.425 (5) 3.216 (5) 3.410 (5) 3.370 (7) 3.489 (5) | 161.7 (3) 123.7 (3) 162.5 (3) 123.1 (3) 111.5 (3) 128.8 (4) 160.6 (3) | x, y, z x, y, z x, y, z x, y, z +1 + x, y, z +1 − x, +1 − y, +2 − z −1 + x, y, z |
7 | O1-H1…O2 C8-H8…O2 C9-H9…O1 | 1.01 (3) 0.930 (2) 0.930 (2) | 1.62 (3) 2.509 (2) 2.701 (2) | 2.6213 (2) 3.433 (3) 3.437 (3) | 175 (2) 172.3 (1) 136.7 (1) | +2 − x, +2 − y, +2 − z −1 + x, −1+y, z +1 + x, +1 − y, +2 − z |