1430117-50-2Relevant academic research and scientific papers
Structural competition between π...π interactions and halogen bonds: A crystallographic study
Ji, Baoming,Wang, Weizhou,Deng, Dongsheng,Zhang, Yu,Cao, Lei,Zhou, Le,Ruan, Chuansheng,Li, Tiesheng
, p. 769 - 774 (2013/03/29)
1,3-Diiodotetrafluorobenzene and 1,3,5-trifluoro-2,4,6-triiodobenzene form co-crystals with 4,4′,6,6′-tetramethyl-2,2′-bipyrimidine, 1,2,4,5-tetra(3-pyridyl)benzene and 1,2,4,5-tetra(4-pyridyl)benzene in which the structural competition between π...π interactions and halogen bonds is directly observed. It is found that the strong C-I...N halogen bond competes successfully with the π...π interaction between two 1,3-diiodotetrafluorobenzene molecules while the π...π interaction between two 1,3,5-trifluoro-2,4,6-triiodobenzene molecules can successfully compete with the strong C-I...N halogen bond. Quantum chemical calculations explain the structural competition well.
