关键词: alkali metal crystal structure dye isostructural pseudo-alkali metal salt selection single-crystal X-ray diffraction sulfonated azo

来  源:   DOI:10.1107/S2053229624001293   PDF(Pubmed)

Abstract:
The structures of five ammonium salt forms of monosulfonated azo dyes, derivatives of 4-(2-phenyldiazen-1-yl)benzenesulfonate, with the general formula [NH4][O3S(C6H4)NN(C6H3)RR\']·XH2O [R = OH, NH2 or N(C2H4OH)2; R\' = H or OH] are presented. All form simple layered structures with alternating hydrophobic (organic) and hydrophilic (cation, solvent and polar groups) layers. To assess for isostructural behaviour of the ammonium cation with M+ ions, the packing of these structures is compared with literature examples. To aid this comparison, the corresponding structures of four potassium salt forms of the monosulfonated azo dyes are also presented herein. Of the five ammonium salts it is found that three have isostructural equivalents. In two cases this equivalent is a potassium salt form and in one case it is a rubidium salt form. The isostructurality of ion packing and of unit-cell symmetry and dimensions tolerates cases where the ammonium ions form somewhat different interaction types with coformer species than do the potassium or rubidium ions. No sodium salt forms are found to be isostructural with any ammonium equivalent. However, similarities in the anion packing within a single hydrophobic layer are found for a group that consists of the ammonium and rubidium salt forms of one azo anion species and the sodium and silver salt forms of a different azo species.
摘要:
单磺化偶氮染料的五种铵盐形式的结构,4-(2-苯基二嗪-1-基)苯磺酸酯的衍生物,通式为[NH4][O3S(C6H4)NN(C6H3)RR']·XH2O[R=OH,给出了NH2或N(C2H4OH)2;R1'=H或OH]。全部形成简单的层状结构,具有交替的疏水(有机)和亲水(阳离子,溶剂和极性基团)层。为了评估铵阳离子与M+离子的同构行为,将这些结构的填料与文献实例进行了比较。为了帮助进行比较,本文还提供了单磺化偶氮染料的四种钾盐形式的相应结构。在五种铵盐中,发现三种具有同构等同物。在两种情况下,这种等价物是钾盐形式,在一种情况下,它是铷盐形式。离子堆积以及晶胞对称性和尺寸的等结构性可以容忍铵离子与共形成物类形成的相互作用类型与钾或铷离子不同的情况。没有发现钠盐形式与任何铵当量是同构的。然而,对于由一种偶氮阴离子物种的铵盐和ru盐形式以及不同偶氮物种的钠盐和银盐形式组成的一组,发现了单个疏水层内阴离子堆积的相似性。
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