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

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

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.

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 hydrogen bonds, and the intermolecular hydrogen bonds assembled the compounds i 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 interrnolecular hydrogen bonds assembled 3 into dimers. The adjacent dimers are assembled to ID catenulate supramolecular structure by the intermolecular π-π interaction among aryl-ring.