N′-[(4,6-二甲氧基)-嘧啶-2-基]-N-[2-(2,4-二氯苯氧丙酰基)]硫脲的结构解析(英文)

Structure analysis of N′-[(4,6-dimethoxy)-pyrimidin-2-y]-N-[2-(2,4-dichlorophenoxypropionyl)]thiourea

报道了一个4,6-二甲氧基嘧啶取代的硫脲的分子结构和二维构筑体系.在这个分子中,通过强分子内氢键锁硫脲的3个主要片段促使分子呈现近平面结构;不同类型的弱分子间C-H—S和C-H—O氢键导致分子形成不同类型的二聚单元;这些二聚单元结合分子间的偶极-偶极促使分子呈现不同类型的席状体系;另外,π-π堆积和氯/氯间紧密相互作用导致嘧啶取代的硫脲分子呈现高度有序的交错层的自聚集体系.

The crystal structure of N′-[（4,6-dimethoxy）-pyrimidin-2-yl]-N-[2-（2,4-dichlorophenoxypropionyl）]thiourea has been reported.The direct evidence of the solid-state conformation and the structural details of unique 2D supramolecular architecture have been obtained.The relatively strong intramolecular hydrogen bonding lock three main parts of thiourea in a nearly planar arrangement.Different types of weak intermolecular hydrogen bonds of C-H—S and of C-H—O interact each other to form different dimeric units.These dimeric units,together with the intermolecular dipole-dipole interactions,promote molecules to pack into infinite,different 1D sheet structures.The π-π stacking interactions and the inter-aggregate Cl/Cl close connections result in fabricating higher-order 2D crossbedded self-adhesive architecture.