Table 2. Hydrogen-bond geometry (Å, °).
| D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A | Mulliken overlap | H-bond energy |
|---|---|---|---|---|---|---|
| N6—H37⋯O4 | 1.043 | 1.807 | 2.781 | 153.7 | 0.063 | 5.8 |
| N6—H36⋯Cl38 | 1.054 | 2.070 | 3.094 | 163.2 | 0.088 | |
| N6—H35⋯Cl38 | 1.047 | 2.181 | 3.159 | 154.6 | 0.077 | |
| O1—H26⋯Cl38 | 0.993 | 2.159 | 3.146 | 172.1 | 0.064 | 35.6 |
| N5—H23⋯Cl38 | 1.025 | 2.545 | 3.465 | 149.0 | 0.036 | |
| C16—H28⋯Cl38 | 1.099 | 2.485 | 3.422 | 142.4 | 0.032 | |
| C11—H22⋯O1 | 1.090 | 2.443 | 2.825 | 98.9 | 0.017 | |
| C13—H24⋯O3 | 1.089 | 2.656 | 3.592 | 143.7 | 0.012 | |
| C17—H31⋯O3 | 1.100 | 2.642 | 3.637 | 150.3 | 0.010 |