N-乙氧羰基-N'-取代芳基硫脲晶体中的弱相互作用及超分子结构研究

合成了3种N-乙氧羰基-N'-取代芳基硫脲并确定了其晶体结构, 晶体结构表明, 在这些化合物中存在分子内及分子间的氢键, 分子间的氢键将化合物1和2组装成了一维链状的超分子结构, 由于空间因素, 化合物3没有形成类似于1, 2中的氢键组装成的链状超分子结构, 而是形成了氢键链接的二聚体. 同时在化合物1, 3中还存在分子间的芳环间的π-π相互作用. 在化合物1的晶体中, 这种π-π相互作用使相邻的超分子链之间相互关联. 化合物3的晶体中, 相邻的二聚体间又通过π-π相互作用连接成了无限延伸的一维链状结构.

Studies on the Weak Interaction and Supramolecular Structure in the Crystal of N-Ethoxycarbonyl-N''-Arylthiourea

Three N-ethoxycarbonyl-N'-arylthioureas were synthesized and their structures were determined by X-ray diffraction. In the crystal of these compounds, there are inter- and intramolecular hy-drogen bonds, and the intermolecular hydrogen bonds assembled the compounds 1 and 2 into 1D catenulate supramolecular structure. The π-π interaction among the catenulate supermolecules connected the adjacent catenulate supermolecules together. While in the crystal of 3, the intermolecular hydrogen bonds assembled 3 into dimers. The adjacent dimers are assembled to 1D catenulate supramolecular structure by the intermolecular π-π interaction among aryl-ring.