Table 2.
Propensities of intermolecular H-bonding in 3TC-containing solids.
| Donor | Acceptor | Propensity 1 | Observed in Solid 3TC 2 | Observed in CSD 3 | Observed in PDB |
|---|---|---|---|---|---|
| Amine NH2 | −OOC | -/0.94 | Yes | Yes | |
| H2O | -/0.62 | Yes | Yes | ||
| O=C | 0.46/0.52 | Tetr, Tric | Yes | Yes | |
| HO | 0.42/0.50 | Tetr | Yes | Yes | |
| N2het | 0.40/0.48 | Tric | Yes | Yes | |
| O2het | 0.14/0.19 | Yes | |||
| Shet | 0.06/0.11 | ||||
| OH | −OOC | -/0.90 | Yes | ||
| H2O | -/0.48 | Yes | |||
| O=C | 0.41/0.39 | Tric | Yes | ||
| OH | 0.38/0.40 | Yes | |||
| N2het | 0.36/0.38 | Tetr | Yes | ||
| O2het | 0.12/0.13 | ||||
| Shet | 0.05/0.06 | ||||
| H2O | −OOC | -/0.95 | Yes | ||
| H2O | -/0.65 | ||||
| O=C | -/0.60 | Yes | Yes | ||
| HO | -/0.55 | Yes | |||
| N2het | -/0.55 | Yes | |||
| O2het | -/0.23 | ||||
| Shet | -/0.12 | Yes |
1 Data at absence and presence of water molecules and carboxylic groups are divided by slash. 2 Data for the tetragonal II (Tetr) and triclinic IV (Tric) polymorphs are given. 3 Data for co-crystals, salts, and solvates.