Crystal structure and Hirshfeld surface analysis of 1,4-di-aza-bicyclo-[2.2.2]octane-di-ium bis-(tribromide).

ABSTRACT: The crystal structure of the title salt, 1,4-di-aza-bicyclo-[2.2.2]octane-di-ium bis-(tribromide), (C₆H₁₄N₂)[Br₃]₂, consists of diprotonated 1,4-di-aza-bicyclo-[2.2.2]octane-di-ium (or tri-ethyl-enedi-amine) cations, which are separated by [Br₃]^- anions. Br⋯Br contacts between polybromide anions generate supra-molecular two-dimensional layers propagating along the bc plane. Organic cations are accommodated inside anionic layers and inter-act with tribromide anions through N-H⋯Br contacts. The structure is additionally stabilized by weak C-H⋯Br inter-actions linking the organic cations and [Br₃]^-. Hirshfeld surface analysis and associated fingerprint plots reveal that the main contribut

SUBMITTER: Haleliuk DA 

PROVIDER: S-EPMC12589847 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature