Construction of interesting organic supramolecular structures with synthons cooperation in the cocrystals of 1H-benzotriazole and hydroxybenzoic acids  

作　　者：WANG Lei ZHAO Lei XUE RuiYu LU XiFeng WEN YongHong YANG Yu 

机构地区：[1]Key Laboratory of Eco-chemical Engineering,Ministry of Education College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology,Qingdao 266042,China [2]Lunan Institute of Coal Chemical Engineering,Jining 272000,China

出　　处：《Science China Chemistry》2012年第12期2515-2522,共8页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China (20701023 and 20971076);the Natural Science Foundation of Shandong Province,China (BS2010CL013 and2009ZRB019KH)

摘　　要：Multifunctional molecules are capable of assembling via different supramolecular synthons, or hydrogen bond motifs, between the same or different functional groups, leading to the possibility of cocrystal. Utilization of the interplay of dimensionality （I-D, 2-D and 3-D）, orientation of functional groups of the building blocks, influence of rigid/flexible linking groups, and weak interactions provides an interesting route for the creation of novel supramolecular architectures in the crystal lattice. N-unsubstituted 1H-benzotriazole and carboxylic acid, being self-complementary molecules, offer a broad scope of study of binary compounds based on the complementary combination of H-bonding/donating sites. We report here the construction of three extended molecular networks in cocrystals of the carboxylic acid group of the acid and the 1H-benzotriazole triazole moiety. We have been able to identify four major supramolecualr synthons that would be helpful in the prediction of structural motifs for these kinds of studies. Interestingly, these heterosynthons are strikingly similar, to those of the homosynthons of the individual functional groups. The nature of the aza groups helps to enhance the overall volume of the crystal lattice thus lead- ing to the formation of various supramolecular assemblies. Thermal stability of these compounds has been investigated by thermogravimetric analysis （TGA） of mass loss.Multifunctional molecules are capable of assembling via different supramolecular synthons,or hydrogen bond motifs,between the same or different functional groups,leading to the possibility of cocrystal.Utilization of the interplay of dimensionality(1-D,2-D and 3-D),orientation of functional groups of the building blocks,influence of rigid/flexible linking groups,and weak interactions provides an interesting route for the creation of novel supramolecular architectures in the crystal lattice.N-unsubstituted 1H-benzotriazole and carboxylic acid,being self-complementary molecules,offer a broad scope of study of binary compounds based on the complementary combination of H-bonding/donating sites.We report here the construction of three extended molecular networks in cocrystals of the carboxylic acid group of the acid and the 1H-benzotriazole triazole moiety.We have been able to identify four major supramolecualr synthons that would be helpful in the prediction of structural motifs for these kinds of studies.Interestingly,these heterosynthons are strikingly similar,to those of the homosynthons of the individual functional groups.The nature of the aza groups helps to enhance the overall volume of the crystal lattice thus leading to the formation of various supramolecular assemblies.Thermal stability of these compounds has been investigated by thermogravimetric analysis(TGA) of mass loss.

关 键 词：CO-CRYSTALS crystal structure supramolecular synthons 1H-benzotriazole 

分 类 号：TQ342[化学工程—化纤工业] S562.01[农业科学—作物学]