Crystal structure and Hirshfeld surface analysis of 2-bromoethylammonium bromide – a possible side product upon synthesis of hybrid perovskites

Журнал :
Acta Crystallographica Section E Crystallographic Communications
Том :
80
Випуск :
7
ISSN :
2056-9890
Початкова сторінка :
738
Кінцева сторінка :
741
Цитування :
[APA 7] Oleksandr, A. S., Sergiu, S., Голеня, І. О., Наумова, Д. Д., & Гуральський, І. О. (2024). Crystal structure and Hirshfeld surface analysis of 2-bromoethylammonium bromide – a possible side product upon synthesis of hybrid perovskites. Acta Crystallographica Section E Crystallographic Communications, 80(7), 738–741. https://doi.org/10.1107/S2056989024005619
[ДСТУ] Crystal structure and Hirshfeld surface analysis of 2-bromoethylammonium bromide – a possible side product upon synthesis of hybrid perovskites / A. S. Oleksandr et al. Acta Crystallographica Section E Crystallographic Communications. 2024. Vol. 80, no. 7. P. 738—741. DOI: 10.1107/S2056989024005619 (date of access: 18.07.2026).
This study presents the synthesis, characterization and Hirshfeld surface analysis of a small organic ammonium salt, C<jats:sub>2</jats:sub>H<jats:sub>7</jats:sub>BrN<jats:sup>+</jats:sup>·Br<jats:sup>−</jats:sup>. Small cations like the one in the title compound are considered promising components of hybrid perovskites, crucial for optoelectronic and photovoltaic applications. While the incorporation of this organic cation into various hybrid perovskite structures has been explored, its halide salt counterpart remains largely uninvestigated. The obtained structural results are valuable for the synthesis and phase analysis of hybrid perovskites. The title compound crystallizes in the solvent-free form in the centrosymmetric monoclinic space group <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>/<jats:italic>c</jats:italic>, featuring one organic cation and one bromide anion in its asymmetric unit, with a torsion angle of −64.8 (2)° between the ammonium group and the bromine substituent, positioned in a <jats:italic>gauche</jats:italic> conformation. The crystal packing is predominantly governed by Br...H interactions, which constitute 62.6% of the overall close atom contacts.
Ключові слова :
Hirshfeld surface analysis 2-bromoethylamine hydrobromide hybrid perovskite crystal structure
Галузі знань та спеціальності :
10 Природничі науки
Галузі науки і техніки (FOS) :
Природничі науки
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