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Abstract：
Using a 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine with acetic acid, C12H8F2N2·C2H4O2, we investigate the influence of F atoms introduced to the aromatic ring on promoting π-π interactions. The cocrystal crystallizes in the triclinic space group P1. Through crystallographic analysis and computational studies, we reveal the molecular arrangement within this cocrystal, demonstrating the presence of hydrogen bonding between the acetic acid molecule and the pyridyl group, along with π-π interactions between the aromatic rings. Our findings highlight the importance of F atoms in promoting π-π interactions without necessitating full halogenation of the aromatic ring.
摘要：
使用（E）-N-（3,4-二氟苯基）-1-（吡啶-4-基）甲胺与乙酸的1：1共晶，C12H8F2N2·C2H4O2，我们研究了引入芳环的F原子对促进π-π相互作用的影响。共晶在三斜晶系空间群P1中结晶。通过晶体学分析和计算研究，我们揭示了共晶中的分子排列，证明乙酸分子和吡啶基之间存在氢键，以及芳香环之间的π-π相互作用。我们的发现强调了F原子在促进π-π相互作用而不需要芳环完全卤化方面的重要性。
