Nontypical iodine–halogen bonds in the crystal structure of (3 E )-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4- ij ]quinolin-4-ium triiodide

Journal Article · Fri Apr 29 00:00:00 EDT 2016 · Acta Crystallographica. Section C, Structural Chemistry (Online)

DOI:https://doi.org/10.1107/S2053229616003934· OSTI ID:1245850

Bartashevich, E. V. ^[1]; Batalov, V. I. ^[1]; Yushina, I. D. ^[1]; Stash, A. I. ^[2]; Chen, Y. S. ^[3]

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1. South Ural State Univ., Chelyabinsk (Russia)
2. Karpov Inst. of Physical Chemistry, Moscow (Russia)
3. Univ. of Chicago, IL (United States)

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. Lastly, the influence of relatively weakly bound iodine inside an asymmetric triiodide anion on the thermal and Raman spectroscopic properties has been demonstrated.

• Research Organization: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
• Sponsoring Organization: FOREIGN
• OSTI ID: 1245850
• Journal Information: Acta Crystallographica. Section C, Structural Chemistry (Online), Vol. 72, Issue 4; ISSN 2053-2296
• Country of Publication: United States
• Language: ENGLISH