Table 4.
Motifs | D–H…A | Symmetry | Geometry
|
||
---|---|---|---|---|---|
D…A/Å | H…A/Å | ∠D–H…A/° | |||
I | N4-H4N…O3 | −x+1, −y+1, −z+2 | 2.829 (2) | 1.80 | 177 |
II | C9-H9B…N3 | −x, y−1/2, −z+3/2 | 3.857 (2) | 2.79 | 168 |
III | C18-H18…O1 | x, −y+1/2, z−1/2 | 3.478 (2) | 2.54 | 145 |
IV | C21-H21A…Cg1 | −x, y−1/2, −z+3/2 | 3.415 (2) | 2.60 | 132 |
V | C8 (π)…(π) C16 | −x, y−1/2,−z+3/2 | 3.292 (2) | – | – |
VI | C6-H6…(π) C13 | −x, −y+1, −z+2 | 3.741 (3) | 2.81 | 145 |
VII | C22-H22C…O3 | x, y−1, z | 3.460 (2) | 2.50 | 147 |
VIII | C22-H22B…O3 | −x+1, −y+1, −z+2 | 3.606 (2) | 2.70 | 141 |
IX | C20-H20…F2 | x+1, y, z | 3.510 (2) | 2.68 | 134 |
X | C5-H5…O2 | −x, −y, −z+2 | 3.425 (2) | 2.57 | 136 |
XI | N5-H5N…O2 | x, y+1, z | 3.667 (2) | 2.86 | 136 |
XII | N5-H5N…N2 | −x, y+1/2, −z+3/2 | 3.069 (2) | 2.25 | 134 |
XIII | C19-H19…F3 | x+1, y, z | 3.572 (2) | 2.78 | 130 |
XIV | C22-H22A…F3 | x+1, −y+1/2, z+1/2 | 3.445 (2) | 2.66 | 129 |
XV | C7-H7…O4 | x, −y+1/2, z+1/2 | 3.353 (2) | 2.66 | 121 |
XVI | C21-H21B…O4 | −x, −y, −z+1 | 3.370 (2) | 2.66 | 122 |
XVII | C21-H21A…N1 | −x, y−1/2, −z+3/2 | 3.601 (2) | 2.92 | 121 |
XVIII | F1…F3 | −x−1, y+1/2, −z+3/2 | 3.026 (2) | – | – |
Note: Cg1 refers to the center of gravity of ring formed by C7-C8-N3-N2-N1.