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

E. V. Bartashevich, A. I. Stash, V. I. Batalov, I. D. Yushina, T. N. Drebushchak, E. V. Boldyreva, V. G. Tsirelson

Результат исследования: Научные публикации в периодических изданияхстатья

14 Цитирования (Scopus)

Аннотация

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.

Язык оригиналаанглийский
Страницы (с-по)1553-1560
Число страниц8
ЖурналStructural Chemistry
Том27
Номер выпуска5
DOI
СостояниеОпубликовано - 1 окт 2016

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