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. 2021 May 20;21(6):3428–3437. doi: 10.1021/acs.cgd.1c00211

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  
a

√, 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).