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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. / Bartashevich, E. V.; Stash, A. I.; Batalov, V. I. et al.

In: Structural Chemistry, Vol. 27, No. 5, 01.10.2016, p. 1553-1560.

Research output: Contribution to journal › Article › peer-review

Harvard

Bartashevich, EV, Stash, AI, Batalov, VI, Yushina, ID, Drebushchak, TN, Boldyreva, EV & Tsirelson, VG 2016, '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, vol. 27, no. 5, pp. 1553-1560. https://doi.org/10.1007/s11224-016-0785-y

APA

Bartashevich, E. V., Stash, A. I., Batalov, V. I., Yushina, I. D., Drebushchak, T. N., Boldyreva, E. V., & Tsirelson, V. G. (2016). 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, 27(5), 1553-1560. https://doi.org/10.1007/s11224-016-0785-y

Vancouver

Bartashevich EV, Stash AI, Batalov VI, Yushina ID, Drebushchak TN, Boldyreva EV et al. 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 Oct 1;27(5):1553-1560. doi: 10.1007/s11224-016-0785-y

Author

Bartashevich, E. V. ; Stash, A. I. ; Batalov, V. I. et al. / 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. In: Structural Chemistry. 2016 ; Vol. 27, No. 5. pp. 1553-1560.

BibTeX

@article{e6d5dbbf49994ed3bdadb79560c4b8d7,
title = "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",
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) {\AA}. 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.",
keywords = "H atom disorder, Halogen bond, Hydrogen bond, Quinolinium triiodides",
author = "Bartashevich, {E. V.} and Stash, {A. I.} and Batalov, {V. I.} and Yushina, {I. D.} and Drebushchak, {T. N.} and Boldyreva, {E. V.} and Tsirelson, {V. G.}",
year = "2016",
month = oct,
day = "1",
doi = "10.1007/s11224-016-0785-y",
language = "English",
volume = "27",
pages = "1553--1560",
journal = "Structural Chemistry",
issn = "1040-0400",
publisher = "Springer New York",
number = "5",

}

RIS

TY - JOUR

T1 - 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

AU - Bartashevich, E. V.

AU - Stash, A. I.

AU - Batalov, V. I.

AU - Yushina, I. D.

AU - Drebushchak, T. N.

AU - Boldyreva, E. V.

AU - Tsirelson, V. G.

PY - 2016/10/1

Y1 - 2016/10/1

N2 - 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.

AB - 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.

KW - H atom disorder

KW - Halogen bond

KW - Hydrogen bond

KW - Quinolinium triiodides

UR - http://www.scopus.com/inward/record.url?scp=84975140839&partnerID=8YFLogxK

U2 - 10.1007/s11224-016-0785-y

DO - 10.1007/s11224-016-0785-y

M3 - Article

AN - SCOPUS:84975140839

VL - 27

SP - 1553

EP - 1560

JO - Structural Chemistry

JF - Structural Chemistry

SN - 1040-0400

IS - 5

ER -

ID: 25461972