Table 1. Summary of new TMA crystal structures discovered from the crystallisation screen.
Structure code a | Good solvent b | Bad solvent c | Space group |
TMA_2-33 | THF | n-Butylbenzene | P3121 |
TMA_3-31 | EtOH | Cyclohexanone | C2/c |
TMA_3-36 | EtOH | Ph2O | P1[combining macron] |
TMA_4-18 | 2-Propanol | EtOAc | C2/c |
TMA_6-18 | 1-Propanol | EtOAc | P1[combining macron] |
TMA_7-35 | 1,4-Dioxane | 1,3-Dimethoxybenzene | C2/m |
TMA_8-32 | 1-Butanol | Mesitylene | P3221 |
TMA_8-35 | 1-Butanol | 1,3-Dimethoxybenzene | C2/m |
aStructure codes correspond to crystallisation solvents numbers listed in ESI, Table S2. The structures with hexagonal layered packing of TMA molecules are: 2-33, 3-31, 3-36, 7-35, 8-32, and 8-35. Both 4-18 and 6-18 are non-hexagonal forms that show hydrogen bonding to the crystallisation solvent.
bSolvents that dissolved TMA at concertation ≥15 mg mL–1 at RT.
cSolvents that dissolved TMA at concentration <15 mg mL–1 at RT.