Table 1. H bonds at R = 4.5%.
Type | Donor | Acceptor | D-A, Å | D-H, Å |
---|---|---|---|---|
Intermolecular | N2g | O3d* | 2.865‡ | 1.97 |
Intermolecular | O3d | O1e | 2.681§ | 1.78 |
O1e | N7g† | 2.815§ | 1.91 | |
Intramolecular | O5d | N3g | 3.094¶ | 2.27 |
Symmetry equivalent -1+x, y, z
Symmetry equivalent 1/2+x, 3/2-y, 1-z
Direct NH···O hydrogen bond
Hydrogen bonds mediated by ethanol
Intramolecular