Table 2. A summary of short interatomic contacts (Å) for (I)a .
| Contact | Distance | ΣvdW | Δ|(d norm −ΣvdW)| | Symmetry operation |
|---|---|---|---|---|
| H2N⋯O1b | 1.92 | 2.61 | 0.69 | 1 − x, −y, 2 − z |
| H1O⋯S1b | 2.21 | 2.89 | 0.68 | 1 + x, y, z |
| H1N⋯O3b | 2.17 | 2.61 | 0.44 | 1 − x, −y, 1 − z |
| H3B⋯H8 | 2.08 | 2.18 | 0.10 | x, y, 1 + z |
| H9⋯C1 | 2.60 | 2.79 | 0.19 | 1 − x, 1 − y, 1 − z |
| C5⋯O3 | 3.17 | 3.22 | 0.05 | 1 − x, − y, 1 − z |
| H2A⋯S1 | 2.87 | 2.89 | 0.02 | 1 − x, 1 − y, 2 − z |
| H9⋯S1 | 2.89 | 2.89 | 0.00 | 1 − x, 1 − y, 1 − z |
Notes: (a) The interatomic distances are calculated in Crystal Explorer 17 (Turner et al., 2017 ▸) whereby the X—H bond lengths are adjusted to their neutron values; (b) these interactions correspond to conventional hydrogen bonds.