2,6-二甲基吡嗪与芳香酸共晶的合成、结构与表征

Synthesis, Structure and Characterization of Co-crystals of 2,6-Dimethylpyrazine with Aromatic Acids

为了研究吡嗪类化合物潜香的合成条件,开发新型烟用潜香,以2,6-二甲基吡嗪为原料,对甲苯磺酸为配体,通过溶剂挥发法合成对甲苯磺酸-2,6-二甲基吡嗪共晶化合物。通过单晶X射线衍射(SXRD)表征并分析其晶体结构和性质。再对晶体进一步的进行Hirshfeld表面和指纹图分析,研究此共晶中的分子间相互作用,为吡嗪共晶类潜香化合物的合成提供理论支撑。

In order to study the synthesis conditions of pyrazine compounds, we developed a new type of latent fragrance for cigarettes. Using 2,6-dimethylpyrazine as raw material, p-toluenesulfonic acid as ligands, then the co-crystal of p-toluenesulfonic acid-2, 6-dimethylpyrazine was synthesized by solvent evaporation method. The structure and property of the co-crystal were characterized and analyzed by single crystal X-ray diffraction (SXRD). Further analysis of the surface of the co-crystal and the fingerprint of the Hirshfeld reveals that the intermolecular interaction in the co-crystal provides theoretical support for the synthesis of pyrazine crystals latent compounds.