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Figure 9
(a) Plot showing the two unique 4PYPY π-stacking inter­actions to the central 4PYPY mol­ecule within cocrystal BTFIB·4PYPY. PSPY1 corresponds to the mol­ecule with the higher degree of overlap. (b) Plot showing the three mol­ecules with the strongest inter­molecular inter­action energy to the central BTFIB mol­ecule in cocrystal BTFIB·4PYPY. Note that colours in (b) are not related to colours in (a). The dark-blue mol­ecule labelled PSTF1 corresponds to the mol­ecule with higher overlap, and the mol­ecule XB is the 4PYPY mol­ecule halogen bonded to the central BTFIB.

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ISSN: 2056-9890
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