Table 1. Hydrogen-bond geometry (Å, °) for kadu1697_DFT .
| D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A |
|---|---|---|---|---|
| O21—H22⋯O11 | 0.98 | 1.73 | 2.687 | 164 |
| O17—H18⋯O16 | 0.98 | 1.90 | 2.581 | 124 |
| C2—H7⋯O11i | 1.09 | 2.47 | 3.396 | 142 |
Symmetry code: (i) -x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}.
| D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A |
|---|---|---|---|---|
| O21—H22⋯O11 | 0.98 | 1.73 | 2.687 | 164 |
| O17—H18⋯O16 | 0.98 | 1.90 | 2.581 | 124 |
| C2—H7⋯O11i | 1.09 | 2.47 | 3.396 | 142 |
Symmetry code: (i) -x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}.