Table 1. Overview of the Coformers Predicted and Screened for Racemic Praziquantela.
| rank | coformer | score | precision | screening (PXRD) | SC-XRD |
|---|---|---|---|---|---|
| 1 | sebacic acid | 9.31 | 0.49 | x | |
| 2 | suberic acid | 9.23 | 0.49 | x | |
| 3 | benzoic acid | 8.00 | 0.47 | x | |
| 4 | pimelic acid | 7.54 | 0.46 | √ | |
| 5 | salicylic acid | 6.91 | 0.44 | √ | √(+H2O) |
| 6 | 1,4-diiodotetrafluorobenzene | 5.82 | 0.40 | √ | √ |
| 7 | 4-hydroxybenzoic acid | 5.26 | 0.38 | √ | √ |
| 8 | terephthalic acid | 5.22 | 0.38 | x | |
| 9 | 4-aminobenzoic acid | 4.79 | 0.36 | x | |
| 10 | isophthalic acid | 3.82 | 0.31 | x | |
| 11 | azelaic acid | 3.75 | 0.30 | x | |
| 12 | 4-aminosalicylic acid | 3.45 | 0.28 | √ | √(+MeCN) |
| 13 | 3,5-dinitrobenzoic acid | 3.34 | 0.28 | √ | √ |
| 14 | trans-cinnamic acid | 3.22 | 0.27 | x | |
| 15 | hydroquinone | 3.09 | 0.26 | √, √ | √ |
| 16 | 3-hydroxybenzoic acid | 3.02 | 0.26 | x | |
| 17 | anthranilic acid | 2.85 | 0.25 | x | |
| 18 | phthalic acid | 2.68 | 0.24 | x | |
| 19 | d-(−)-tartaric acid | 2.67 | 0.24 | x | |
| 20 | vanillic acid | 2.55 | 0.23 | √, √ | √ |
| 21 | 4-nitrobenzoic acid | 2.33 | 0.22 | x | |
| 22 | 2,5-dihydroxybenzoic acid | 2.21 | 0.21 | √, √ | √, √(+MeCN) |
| 23 | 2-fluorobenzoic acid | 2.12 | 0.20 | x | |
| 24 | 3,5-dihydroxybenzoic acid | 2.10 | 0.20 | √ | √(+MeCN) |
| 25 | 3-nitrobenzoic acid | 2.02 | 0.19 | x | |
| 26 | 4-nitrophenol | 1.98 | 0.19 | x | |
| 27 | 1-hydroxy-2-naphtoic acid | 1.94 | 0.19 | x | |
| 28 | 2,4-hydroxybenzoic acid | 1.86 | 0.18 | √, √, √ | √ |
| 29 | orcinol | 1.72 | 0.17 | √ | √ |
| 30 | dodecanedioic acid | 1.69 | 0.17 | x |
√, new phase observed with powder X-ray diffraction (PXRD) or single-crystal X-ray diffraction (SC-XRD); x, physical mixture or oil of the constituents observed with powder X-ray diffraction (PXRD).