有机-无机杂化化合物三-（2-碘乙基铵）六碘二酸盐（III）的晶体结构和Hirshfeld表面分析

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-02-01 DOI:10.1107/S2056989025000386

Olesia I. Kucheriv , Valeriia M. Ovdenko , Iryna S. Kuzevanova , Irina A. Golenya , Il’ya A. Gural’skiy

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引用次数: 0

摘要

标题有机无机盐（IC2H4NH3）3[BiI6]的不对称单元由一个[BiI6]3-八面体和三个2-碘乙基铵阳离子组成。八面体彼此之间不相互作用，超分子排列由阳离子和阴离子之间N-H⋯I氢键的复杂网络确保。此外，在晶体结构中存在有机阳离子与配位八面体之间的弱I⋯I相互作用。Hirshfeld表面分析显示，对晶体堆积最重要的贡献是H⋯I（72.3%）和I⋯I（11.3%）相互作用。

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Crystal structure and Hirshfeld surface analysis of the organic–inorganic hybrid compound tris(2-iodoethylammonium) hexaiodidobismuthate(III)

The crystal structure of (IC₂H₄NH₃)⁺₃[BiI₆]³⁻ is composed of discrete [BiI₆]^3– octahedra, the charge of which is compensated by three crystallographically independent 2-iodoethylammonium cations.

The asymmetric unit of the title organic–inorganic salt, (IC₂H₄NH₃)₃[BiI₆], consists of a [BiI₆]³⁻ octahedron and three 2-iodoethylammonium cations. The octahedra do not interact with each other, and the supramolecular arrangement is ensured by an intricate network of N—H⋯I hydrogen bonds between cations and anions. In addition, a weak I⋯I interaction between an organic cation and the coordination octahedron is present in the crystal structure. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H⋯I (72.3%) and I⋯I (11.3%) interactions.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.