Table 1.
Summary of the systems, crystal forms, CSD-refcodes, crystal form compositions, polymorphs, and liquid mixtures used in this study
| System | Crystal form |
CSD-refcode | Crystal composition |
CSA-LAG/slurries liquid mixture (active: carrier)a |
|---|---|---|---|---|
|
Theophylline (theo) |
THEO-II THEO-MH-I THEO-DMSO-I |
BAPLOT01 THEOPH05 RIGYEM |
theo theo:h2o theo:dmso |
– h2o:ace dmso:etoh |
|
4-hydroxybenzamide (4ohbzm) |
4OHBZM-I 4OHBZM-HH-I 4OHBZM-MH-I 4OHBZM-ACET-I |
VIDMAX GESCOY JIXCOI01 2443101b |
4ohbzm 4ohbzm:(h2o)0.5 4ohbzm: h2o 4ohbzm:ace |
– h2o:eg h2o:eg ace:eg |
|
Carbamazepine (cbz) |
CBZ-III CBZ-DH-I CBZ-DMSO-I |
CBMZPN02 FEFNOT UNEYIV01 |
cbz cbz:(h2o)2 cbz:dmso |
– h2o:etoh dmso:etoh |
|
Nitrofurantoin (nf) |
NF-β NF-MH-II NF-DMF-II |
LABJON HAXBUD 2443102b |
nf nf:h2o nf:dmf |
– h2o:eg dmf:etoh |
aLiquid mixtures used for CSA-LAG in scenarios (a) and (b) and slurries, active solvents are represented in bold. Compositions were explored for mixtures with activities from 0 to 1 in steps of 0.1.
bCSD deposition numbers for the new solvates identified in this work.