Table 1. Selected Crystallographic Data of Resorcinol Solvatesa.
| Res·CH3OH |
||||
|---|---|---|---|---|
| Res·H2O | 3Res·2H2O | |||
| pressure | 0.80 GPa | 0.93 GPa | 0.49 MPa | 0.70 GPa |
| space group | P212121 | C2/c | P212121 | P212121 |
| unit cell | ||||
| a (Å) | 5.6567(18) | 8.0312(8) | 6.0242(12) | 5.9240(3) |
| b (Å) | 7.6544(5) | 8.1080(6) | 8.1523(12) | 8.1201(3) |
| c (Å) | 13.226(3) | 26.01(4) | 14.32(3) | 14.087(9) |
| β (deg) | 90 | 95.31 | 90 | 90 |
| V (Å3) | 572.7(2) | 1686(2) | 703.4(14) | 677.6(4) |
| Z/Z′ | 4/1 | 12/1.5 | 4/1 | 4/1 |
| Dx (g/cm3) | 1.486 | 1.435 | 1.342 | 1.393 |
| conformation | syn-syn | syn-syn and anti-anti | syn-syn | syn-syn |
a
Cf. Table S1 in the Supporting Information.