The Staple Role of Hydrogen and Halogen Bonds in Crystalline (E)-8-((2,3-diiodo-4-(quinolin-8-ylthio)but-2-en-1-yl)thio)quinolin-1-ium Triiodide Full article
Journal |
Structural Chemistry
ISSN: 1040-0400 , E-ISSN: 1572-9001 |
||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Output data | Year: 2016, Volume: 27, Number: 5, Pages: 1553-1560 Pages count : 8 DOI: 10.1007/s11224-016-0785-y | ||||||||||
Tags | H atom disorder, Halogen bond, Hydrogen bond, Quinolinium triiodides | ||||||||||
Authors |
|
||||||||||
Affiliations |
|
Abstract:
The crystal structure of (E)-8-((2,3-diiodo-4-(quinolin-8-ylthio)but-2-en-1-yl)thio)quinolin-1-ium triiodide, determined at 100 K in the space group C2/c, contains the bridge hydrogen bond [N···H···N]+ linking two neighboring quinolinium fragments; the distance N···N is 2.6927(15) Å. The experimental difference Fourier maps at 293 and 100 K lead to a conclusion about the dynamic nature of the H atom disorder. Calculated vibrational modes obtained for the same compound in the space groups C2/c and Cc are in agreement with the experimental Raman spectrum in the low-frequency region; together, they are consistent with a previous supposition about the dynamic nature of the H atom disorder. We have found that the cation–anion interactions are realized through the charge-assisted iodine–iodine halogen bond.
Cite:
Bartashevich E.V.
, Stash A.I.
, Batalov V.I.
, Yushina I.D.
, Drebushchak T.N.
, Boldyreva E.V.
, Tsirelson V.G.
The Staple Role of Hydrogen and Halogen Bonds in Crystalline (E)-8-((2,3-diiodo-4-(quinolin-8-ylthio)but-2-en-1-yl)thio)quinolin-1-ium Triiodide
Structural Chemistry. 2016. V.27. N5. P.1553-1560. DOI: 10.1007/s11224-016-0785-y WOS Scopus РИНЦ
The Staple Role of Hydrogen and Halogen Bonds in Crystalline (E)-8-((2,3-diiodo-4-(quinolin-8-ylthio)but-2-en-1-yl)thio)quinolin-1-ium Triiodide
Structural Chemistry. 2016. V.27. N5. P.1553-1560. DOI: 10.1007/s11224-016-0785-y WOS Scopus РИНЦ
Dates:
Submitted: | Mar 18, 2016 |
Accepted: | Jun 4, 2016 |
Published online: | Jun 17, 2016 |
Published print: | Oct 1, 2016 |
Identifiers:
Web of science | WOS:000382995000020 |
Scopus | 2-s2.0-84975140839 |
Elibrary | 29465980 |
Chemical Abstracts | 2016:1007502 |
Chemical Abstracts (print) | 165:308414 |
OpenAlex | W2420188832 |