Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid.

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-02-01 Epub Date: 2012-01-06 DOI:10.1107/S0108768111051159

Krešimir Molčanov, Biserka Kojić-Prodić

引用次数: 10

Abstract

A series of alkali salts of hydrogen bromanilic acid trihydrates (K(+), Rb(+) and Cs(+), potassium, rubidium and caesium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate trihydrate), bromanilic acid tetrahydrate (Na(+), disodium 2,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,4-diolate tetrahydrate) and bromanilic acid dihydrates (K(+), Rb(+) and Cs(+), dipotasium, dirubidium and dicaesium 2,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,4-diolate dihydrate) were prepared and studied by single-crystal X-ray diffraction. Their crystal packings are dominated by quinoid ring stacking. The monoanionic quinoid rings pack face-to-face without offset and with short centroid separations (3.25-3.30 Å), while the dianionic rings form offset stacks (1.4-1.8 Å) with a larger centroid separation (3.8-4.1 Å).

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溴苯甲酸碱盐的类醌环的面对面堆叠。

三水合溴苯甲酸氢盐类(K(+)、Rb(+)、Cs(+)、钾、铷、铯2,5-二溴-4-羟基-3,6-二氧环己-1,4-二烯-1,4-二酸盐三水合)、四水合溴苯甲酸(Na(+)、2,5-二溴-3,6-二氧环己-1,4-二氢酸四水合)、二水合溴苯甲酸(K(+)、Rb(+)、Cs(+)、二钾、制备了二铷和二铯(2,5-二溴-3,6-二氧环己-1,4-二烯-1,4-二水酯)，并用单晶x射线衍射对其进行了研究。它们的晶体填料以类醌环堆积为主。单阴离子类醌环面对面排列，没有偏移，质心间隔较短(3.25-3.30 Å)，而双阴离子环形成偏移堆叠(1.4-1.8 Å)，质心间隔较大(3.8-4.1 Å)。

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 B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.