Solvent | Distance (Å) | Angle | |||
Intermolecular H-bond O21H20N6 | |||||
O21-H20 | N6-H20 | O21-N6 | O21H20N6 | ||
Gas | 1.555 | 1.069 | 2.624 | 163.728 | |
Chloroform | 1.671 | 1.046 | 2.717 | 165.256 | |
Methanol | 1.713 | 1.042 | 2.755 | 164.499 | |
Solvent | Distance (Å) | Angle | |||
Intramolecular H-bond O28H29O31 | |||||
O28-H29 | O31-H29 | O28O31 | O28H29O31 | ||
Gas | 0.996 | 1.804 | 2.802 | 125.111 | |
Chloroform | 0.998 | 1.820 | 2.817 | 124.474 | |
Methanol | 0.997 | 1.828 | 2.824 | 124.113 | |