Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene

Abstract

The crystal structure of the title 2:1 molecular complex between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene, C6F4I2·2C8H9NS, at 100 K has been determined in the monoclinic space group P21/c. The most noteworthy characteristic of the complex is the halogen bond between iodine and the pyridine ring with a short N...I contact [2.8628 (12) Å]. The Hirshfeld surface analysis shows that the hydrogen...hydrogen contacts dominate the crystal packing with a contribution of 32.1%.

Keywords

• crystal structure
• halogen bond
• hirshfeld surface analysis