(E)-1-{2,2-二溴-1-[4-(叔丁基)苯基]乙烯基}-2-(3,4-二甲基苯基)重氮的晶体结构和Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY
Namig G. Shikhaliyev , Jonathan Cisterna , Ayten M. Gajar , Ayten A. Niyazova , Ali N. Khalilov , Victor N. Khrustalev , Alebel N. Belay , Abel M. Maharramov
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引用次数: 0

摘要

标题偶氮化合物C20H22Br2N2在三斜空间基P1 (No. 2)中结晶,在不对称单元中有两个独立的分子。利用光谱学和晶体学技术分析了分子结构,证实了预期的结构和电子环境。Hirshfeld表面分析揭示了关键的非共价相互作用,如C-H⋯π、C-H⋯Br、π-π堆叠和卤素键,这些相互作用巩固了晶体结构。该研究对这种溴化偶氮化合物的结构特征和分子间相互作用提供了有价值的见解,在光电材料、染料和分子开关等方面具有潜在的应用前景。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystal structure and Hirshfeld surface analysis of (E)-1-{2,2-di­bromo-1-[4-(tert-but­yl)phen­yl]ethen­yl}-2-(3,4-di­methyl­phen­yl)diazene
The title azo compound crystallizes in the triclinic space group P1 with two independent mol­ecules in the asymmetric unit. Hirshfeld surface analysis and energy framework calculations revealed key non-covalent inter­actions such as C—H⋯π, C—H⋯Br, π–π stacking, and halogen bonding, which consolidate the crystal structure.
The title azo compound, C20H22Br2N2, crystallizes in the triclinic space group P1 (No. 2) with two independent mol­ecules in the asymmetric unit. The mol­ecular structure was analyzed using spectroscopic and crystallographic techniques, confirming the expected configuration and electronic environment. Hirshfeld surface analysis revealed key non-covalent inter­actions such as C—H⋯π, C—H⋯Br, π–π stacking, and halogen bonding, which consolidate the crystal structure. The study provides valuable insights into the structural features and inter­molecular inter­actions of this brominated azo compound, which may have potential applications in optoelectronic materials, dyes, and mol­ecular switches.
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来源期刊
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.
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