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

Autor:	Robin Risken, Tobias Schrimpf, Franziska Dorothea Klotz, Carsten Strohmann
Jazyk:	angličtina
Rok vydání:	2024
Předmět:	crystal structure halogen bond hirshfeld surface analysis Crystallography QD901-999
Zdroj:	Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 7, Pp 759-762 (2024)
Druh dokumentu:	article
ISSN:	2056-9890 20569890
DOI:	10.1107/S2056989024005693
Popis:	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%.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/685194e1b4734d13925db130ad18a213 Zobrazit plný text záznamu View record in DOAJ