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. 2021 Sep 1;21(10):5687–5696. doi: 10.1021/acs.cgd.1c00531

Table 3. Aromatic Analyzer Resultsa.

  aromatic ring
       
cocrystal #1 #2 distance (Å) relative orientation (deg) intermolecular score aromatic analyzer assessment
1-I2 2 3 3.59 0 8.8 strong
  2 6 4.56 1.39 8.3 strong
1-DIB 1 4 3.86 0 10 strong
  2 5 3.86 0 10 strong
1-DIBPH 1 4 3.87 0 10 strong
  2 5 3.87 0 10 strong
1-DITFB 1 4 3.56 0 9.2 strong
  2 5 3.52 0 8.4 strong
a

Aromatic rings are labeled according to Figure 6.