Ethidium benzoate methanol monosolvate

IUCrData Pub Date : 2024-04-01 DOI:10.1107/S241431462400302X

Runa Shimazaki , Masaaki Sadakiyo , E. R. T. Tiekink (Editor)

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Abstract

The crystal structure of a new ethidium salt has been determined. Two ethidium cations self-associate to form a dimer through π–π interactions.

In the title salt solvate (systematic name: 8-amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate), C₂₁H₂₀N₃ ⁺·C₆H₅CO₂ ⁻·CH₃OH, two ethidium cations, C₂₁H₂₀N₃ ⁺, dimerize about a twofold axis through π–π interactions [inter-centroid separation = 3.6137 (4) Å]. The benzoate anions are connected through hydrogen bonding with the –NH₂ groups of the ethidium cations and the –OH group of the MeOH molecule. The MeOH molecule also accepts a hydrogen bond from the –NH₂ group of the ethidium cation. The result is a one-dimensional hydrogen-bonded chain along the b-axis direction.

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苯甲酸乙啶甲醇单溶液

在标题盐溶液（系统名称：8-氨基-5-乙基-6-苯基菲啶-5-鎓苯甲酸甲醇单溶液）C21H20N3 +-C6H5CO2 --CH3OH 中，两个乙啶阳离子 C21H20N3 + 通过 π-π 相互作用[中心间距 = 3.6137 (4) Å]，围绕两倍轴二聚化。苯甲酸阴离子通过氢键与乙啶阳离子的 -NH2 基团和 MeOH 分子的 -OH 基团相连。MeOH 分子也接受来自乙啶阳离子 -NH2 基团的氢键。结果沿 b 轴方向形成一条一维氢键链。

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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