1,3-di-hydro-2H-benzimidazol-2-iminium 3-carb-oxy-4-hy-droxy-benzene-sulfonate 的合成、晶体结构和 Hirshfeld 表面分析。

IF 0.5 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-09-01 DOI:10.1107/S2056989024008557

Salmon Mukhammadiev , Sarvar Rajabov , Akmaljon Tojiboev , Jamshid Ashurov , Sardor Murodov , Shahlo Daminova

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引用次数: 0

摘要

标题盐 C7H8N3 +-C7H5O6S- 的不对称单元包括两个 1,3-二氢-2H-苯并咪唑-2-亚铵盐阳离子和两个 2-羟基-5-磺酸基苯甲酸阴离子（Z' = 2）。在晶体中，分子结构通过 N-H⋯O、O-H⋯O 氢键和 C-O⋯π 接触相互作用。氢键相互作用导致形成平行于 (01) 的层。Hirshfeld 表面分析表明，H⋯H 接触占晶体堆积的大部分，达 38.9%，其次是 H⋯O 接触，占 36.2%。

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Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate

The asymmetric unit of the title salt comprises two 1,3-dihydro-2H-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (Z′ = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (

01).

The asymmetric unit of the title salt, C₇H₈N₃⁺·C₇H₅O₆S⁻, comprises two 1,3-dihydro-2H-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (Z′ = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (

01). Hirshfeld surface analysis revealed that H⋯H contacts contribute to most of the crystal packing with 38.9%, followed by H⋯O contacts with 36.2%.

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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.