Cocrystallization of N-donor type compounds with 5-sulfosalicylic acid:The effect of hydrogen-bonding supramolecular architectures  

作　　者：WANG Lei XU LingYan XUE RuiFeng LU XiFeng CHEN RuiXin TAO XuTang 

机构地区：[1]State Key Laboratory of Crystal Materials Shandong University,Jinan 250100,China [2]Key Laboratory of Eco-chemical Engineering,Ministry of Education College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology,Qingdao 266042,China

出　　处：《Science China Chemistry》2012年第1期138-144,共7页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China(20701023 & 20971076);the Natural Science Foundation of Shandong Province,China(BS2010NJ004 & 2009ZRB019KH)

摘　　要：Benzotriazole,N,N'-dimethylpiperazine and N-methylpiperazine were applied to crystallize with 5-sulfosalicylic acid(5-H2SSA),affording three new binary molecular cocrystals [(C6H6N3+).(C7H5O6S-)].H2O(1),[(C6H16N22+)1/2.(C7H5O6S-)].H2O(2) and [(C5H14N22+).(C7H5O6S-)2].3H2O(3) under general conditions.Proton-transferring occurs from acid to nitrogen of N-donor compounds in all compounds 1,2 and 3.Analysis of the hydrogen-bonding synthons and their effects on crystal packing were also presented in the context of crystal engineering and host-guest chemistry.In compound 1,1-D infinite chains are extended to a 2-D layered architecture via strong O-H...O hydrogen bonds and then to a 3-D network by N-H...O interactions.Compound 2 and 3 both have the 1-D chain which is formed by O-H...O bonds and weak C-H...O hydrogen bonds.A common intramolecular S(6) [synthon I] ring is formed by the hydroxyl with the carboxyl group in all three compounds.Benzotriazole,N,N＇-dimethylpiperazine and N-methylpiperazine were applied to crystallize with 5-sulfosalicylic acid（5-H2SSA）,affording three new binary molecular cocrystals [（C6H6N3＋）.（C7H5O6S-）].H2O（1）,[（C6H16N22＋）1/2.（C7H5O6S-）].H2O（2） and [（C5H14N22＋）.（C7H5O6S-）2].3H2O（3） under general conditions.Proton-transferring occurs from acid to nitrogen of N-donor compounds in all compounds 1,2 and 3.Analysis of the hydrogen-bonding synthons and their effects on crystal packing were also presented in the context of crystal engineering and host-guest chemistry.In compound 1,1-D infinite chains are extended to a 2-D layered architecture via strong O-H...O hydrogen bonds and then to a 3-D network by N-H...O interactions.Compound 2 and 3 both have the 1-D chain which is formed by O-H...O bonds and weak C-H...O hydrogen bonds.A common intramolecular S（6） [synthon I] ring is formed by the hydroxyl with the carboxyl group in all three compounds.

关 键 词：crystal engineering supramolecular synthons N-donor compounds 5-sulfosalicylic acid 

分 类 号：O614.811[理学—无机化学] TQ463[理学—化学]