title: Nontypical iodine-halogen bonds in the crystal structure of (3E)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-ij]quinolin-4-ium triiodide.
abstract: Two kinds of iodine-iodine halogen bonds are the focus of our attention in the crystal structure of the title salt, C12H8ClINO(+)·I3(-), described by X-ray diffraction. The first kind is a halogen bond, reinforced by charges, between the I atom of the heterocyclic cation and the triiodide anion. The second kind is the rare case of a halogen bond between the terminal atoms of neighbouring triiodide anions. The influence of relatively weakly bound iodine inside an asymmetric triiodide anion on the thermal and Raman spectroscopic properties has been demonstrated.
authors.affiliation: Faculty of Chemistry, South Ural State University, Lenin Prospect 76, Chelyabinsk 454080, Russian Federation.
authors.forename: E V
authors.initials: EV
authors.lastname: Bartashevich
authors.affiliation: Faculty of Chemistry, South Ural State University, Lenin Prospect 76, Chelyabinsk 454080, Russian Federation.
authors.forename: V I
authors.initials: VI
authors.lastname: Batalov
authors.affiliation: Faculty of Chemistry, South Ural State University, Lenin Prospect 76, Chelyabinsk 454080, Russian Federation.
authors.forename: I D
authors.initials: ID
authors.lastname: Yushina
authors.affiliation: Laboratory of Oxide Materials, Karpov Institute of Physical Chemistry, Vorontsovo Pole St. 10, Moscow 105064, Russian Federation.
authors.forename: A I
authors.initials: AI
authors.lastname: Stash
authors.affiliation: The University of Chicago, 5801 S Ellis Ave, Chicago, Illinois 60637, USA.
authors.forename: Y S
authors.initials: YS
authors.lastname: Chen
keywords: Raman spectra; crystal structure; dihydrooxazinoquinolinium triiodide; halogen bond; synchrotron study; thermal analysis; triiodide–triiodide interactions