Crystal Structures of Salts of Diacidic 1,4-Diazabicyclo[2.2.2]Octan-N,N'-Dioxide with Halogen-Containing Anions

Crystal Structures of Salts of Diacidic 1,4-Diazabicyclo[2.2.2]Octan-N,N'-Dioxide with Halogen-Containing Anions Full article

Journal

Journal of Structural Chemistry
ISSN: 1573-8779 , E-ISSN: 0022-4766

Output data

Year: 2026, Volume: 67, Number: 9, Pages: 1883-1897 Pages count : 15 DOI: 10.1134/s0022476626090015

Authors

Abasheeva K.D. ¹ , Demakov P.A. ¹ , Fedin V.P. ¹

Affiliations

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

A series of novel salts of protonated 1,4-diazabicyclo[2.2.2]octane (odabco) with halogen-containing anions is obtained. The compounds Hodabco·HCl·H2O (1), odabco·HBr·0.5H2O (2), odabco·2HCl (3), odabco·1.5HCl (4), odabco·1.5HBr (5), (Hodabco)I3·2(dioxane) (6), odabco·2Htca (7; Htca = = trichloroacetic acid), and odabco·3Htca (8) are structurally characterized by single-crystal XRD. It is shown that the nature of the hydrogen-bonded molecular components and the dimensionality of the resulting motifs in the odabco salts depend on the equivalent (molar) acid content in the salt and on the donor ability of the anion. The purity of compounds 1-4 is confirmed by a combination of powder XRD, 1H NMR, CHN analysis, and IR spectroscopy.

Abasheeva K.D. , Demakov P.A. , Fedin V.P.
Crystal Structures of Salts of Diacidic 1,4-Diazabicyclo[2.2.2]Octan-N,N'-Dioxide with Halogen-Containing Anions
Journal of Structural Chemistry. 2026. V.67. N9. P.1883-1897. DOI: 10.1134/s0022476626090015 WOS Scopus

Абашеева К.Д. , Демаков П.А. , Федин В.П.
Кристаллическое строение солей двухкислотного 1,4-диазабицикло[2.2.2]октан-N,N’-диоксида с галогенсодержащими анионами
Журнал структурной химии. 2026. Т.67. №9. 170716 . DOI: 10.26902/jsc_id170716

Submitted:	Apr 10, 2026
Accepted:	May 14, 2026
Published print:	Sep 1, 2026
Published online:	Sep 1, 2026

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