Synthesis and structure of 6-bromo-2-(diethoxymethyl)-2-hydroxy-3-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium chloride acetonitrile monosolvate

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-08-01 DOI:10.1107/S2056989025005778

Firudin I. Guseinov , Aida I. Samigullina , Tuncer Hökelek , Sahil Z. Hamidov , Jamal Lasri , Khudayar I. Hasanov , Tahir A. Javadzade , Alebel N. Belay

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引用次数: 0

Abstract

In the crystal of the title solvate, O—H⋯Cl and N—H⋯Cl hydrogen bonds link the cations and anions into centrosymmetric tetramers.

In the title solvated molecular salt, C₁₈H₂₂BrN₂O₃⁺·Cl⁻·CH₃CN, the imidazole ring is in envelope conformation and the pyridine and phenyl rings are oriented at a dihedral angle of 72.52 (5)°. In the crystal, O—H⋯Cl and N—H⋯Cl hydrogen bonds link the cations and anions into centrosymmetric tetramers enclosing R²₄(12) loops. Short Br⋯Cl [3.2313 (4) Å] and O⋯Cl [3.0490 (10) Å] contacts are observed. A Hirshfeld surface analysis of the structure indicates that the most important contributions for the crystal packing are from H⋯H (52.4%), H⋯C/C⋯H (12.1%), H⋯Br/Br⋯H (11.0%) and H⋯Cl/Cl⋯H (10.2%) interactions.

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6-溴-2-（二eth-氧甲基）-2-羟基-3-苯基-2,3-二氢- 1h -咪唑[1,2-a]吡啶-4-氯化铵乙酰腈单溶剂的合成与结构

在标题溶剂化的分子盐C18H22BrN2O3 +·Cl-·CH3CN中，咪唑环呈包络构象，吡啶环和苯基环呈72.52(5)°的二面角取向。在晶体中，O-H⋯Cl和N-H⋯Cl氢键将阳离子和阴离子连接成中心对称的四聚体，包围r24（12）环。观察到短Br⋯Cl [3.2313 (4) Å]和O⋯Cl [3.0490 （10） Å]接触。对结构的Hirshfeld表面分析表明，对晶体堆积最重要的贡献是H⋯H (52.4%), H⋯C/C⋯H (12.1%), H⋯Br/Br⋯H（11.0%）和H⋯Cl/Cl⋯H（10.2%）相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.

Synthesis and structure of 6-bromo-2-(di­eth­oxymeth­yl)-2-hy­droxy-3-phenyl-2,3-di­hydro-1H-imidazo[1,2-a]pyridin-4-ium chloride aceto­nitrile monosolvate

Abstract

Synthesis and structure of 6-bromo-2-(diethoxymethyl)-2-hydroxy-3-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium chloride acetonitrile monosolvate