卤素键合1:1共晶1-溴-3,5-二硝基苯-n， n-二甲基吡啶-4-胺的晶体结构、Hirshfeld表面和分子间相互作用能分析。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-09-01 DOI:10.1107/S2056989025006735

Eric Bosch

引用次数: 0

摘要

报道了1-溴-3,5-二硝基苯和N，N-二甲基吡啶-4-胺之间形成的1:1共晶结构，其特征是C-Br⋯N卤素键。共晶C6H3BrN2O4·C7H10N2在Z = 4的单斜空间群P21/c中结晶。报道了共晶结构的Hirshfeld表面分析和分子间相互作用能。

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Crystal structure, Hirshfeld surface and intermolecular interaction energy analysis of the halogen-bonded 1:1 cocrystal 1-bromo-3,5-dinitrobenzene–N,N-dimethylpyridin-4-amine

The structure and analysis of the 1:1 cocrystal formed between 1-bromo-3,5-dinitrobenzene and N,N-dimethylpyridin-4-amine is reported. Hirshfeld surface analysis and intermolecular interaction energies within the cocrystal structure are reported.

The structure of the 1:1 cocrystal formed between 1-bromo-3,5-dinitrobenzene and N,N-dimethylpyridin-4-amine that features a C—Br⋯N halogen bond is reported. The cocrystal, C₆H₃BrN₂O₄·C₇H₁₀N₂, crystalizes in the monoclinic space group P2₁/c with Z = 4. Hirshfeld surface analysis and intermolecular interaction energies within the cocrystal structure are reported.

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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.