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Title: 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

Abstract

Two kinds of iodine–iodine halogen bonds are the focus of our attention in the crystal structure of the title salt, C 12H 8ClINO +·I 3 -, 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:
; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE
OSTI Identifier:
1347774
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Crystallographica. Section C, Structural Chemistry (Online); Journal Volume: 72; Journal Issue: 4
Country of Publication:
United States
Language:
ENGLISH
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Bartashevich, E. V., Batalov, V. I., Yushina, I. D., Stash, A. I., and Chen, Y. S. 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. United States: N. p., 2016. Web. doi:10.1107/S2053229616003934.
Bartashevich, E. V., Batalov, V. I., Yushina, I. D., Stash, A. I., & Chen, Y. S. 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. United States. doi:10.1107/S2053229616003934.
Bartashevich, E. V., Batalov, V. I., Yushina, I. D., Stash, A. I., and Chen, Y. S. Wed . "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". United States. doi:10.1107/S2053229616003934.
@article{osti_1347774,
title = {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},
author = {Bartashevich, E. V. and Batalov, V. I. and Yushina, I. D. and Stash, A. I. and Chen, Y. S.},
abstractNote = {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.},
doi = {10.1107/S2053229616003934},
journal = {Acta Crystallographica. Section C, Structural Chemistry (Online)},
number = 4,
volume = 72,
place = {United States},
year = {Wed Mar 23 00:00:00 EDT 2016},
month = {Wed Mar 23 00:00:00 EDT 2016}
}