Gardner Heather C, Kennedy Alan R, McCarney Karen M, Staunton Edward, Stewart Heather, Teat Simon J
Westchem, Department of Pure & Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland.
Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA.
Acta Crystallogr C Struct Chem. 2020 Oct 1;76(Pt 10):972-981. doi: 10.1107/S2053229620012735. Epub 2020 Sep 23.
The structures of five s-block metal salt forms of three disulfonated monoazo dyes are presented. These are poly[di-μ-aqua-diaqua[μ-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]disodium(I)], [Na(CHNOS)(HO)], (I), catena-poly[[tetraaquacalcium(II)]-μ-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)], [Ca(CHNOS)(HO)], (II), catena-poly[[[diaquacalcium(II)]-μ-2-(4-amino-3-sulfonatophenyl)-1-(4-sulfonatophenyl)diazenium] dihydrate], {[Na(CHNOS)(HO)]·2HO}, (III), hexaaquamagnesium bis[2-(4-amino-3-sulfonatophenyl)-1-(4-sulfonatophenyl)diazenium] octahydrate, Mg(HO)·8HO, (IV), and poly[[{μ-4-[2-(4-amino-2-methyl-5-methoxyphenyl)diazen-1-yl]benzene-1,3-disulfonato}di-μ-aqua-diaquabarium(II)] dihydrate], {[Ba(CHNOS)(HO)]·2HO}, (V). Compound (III) is that obtained on crystallizing the commercial dyestuff Acid Yellow 9 [74543-21-8]. The Mg species is a solvent-separated ion-pair structure and the others are all coordination polymers with bonds from the metal atoms to sulfonate groups. Compound (I) is a three-dimensional coordination polymer, (V) is a two-dimensional coordination polymer and both (II) and (III) are one-dimensional coordination polymers. The coordination behaviour of the azo ligands and the water ligands, the dimensionality of the coordination polymers and the overall packing motifs of these five structures are contrasted to those of monosulfonate monoazo congers. It is found that (I) and (II) adopt similar structural types to those of monosulfonate species but that the other three structures do not.
本文给出了三种二磺酸单偶氮染料的五种s-区金属盐形式的结构。它们分别是聚[二-μ-水-二水合[μ-3,3'-(二氮烷-1,2-二基)双(苯磺酸根)]二钠(I)]、[Na(CHNOS)(HO)]，(I)；链状聚[[四水合钙(II)]-μ-3,3'-(二氮烷-1,2-二基)双(苯磺酸根)]、[Ca(CHNOS)(HO)]，(II)；链状聚[[[二水合钙(II)]-μ-2-(4-氨基-3-磺酸基苯基)-1-(4-磺酸基苯基)重氮鎓]二水合物]、{[Na(CHNOS)(HO)]·2HO}，(III)；六水合镁双[2-(4-氨基-3-磺酸基苯基)-1-(4-磺酸基苯基)重氮鎓]八水合物、Mg(HO)·8HO，(IV)；以及聚[[{μ-4-[2-(4-氨基-2-甲基-5-甲氧基苯基)重氮-1-基]苯-1,3-二磺酸根}二-μ-水-二水合钡(II)]二水合物]、{[Ba(CHNOS)(HO)]·2HO}，(V)。化合物(III)是由市售染料酸性黄9[74543-21-8]结晶得到的。镁物种是一种溶剂分隔的离子对结构，其他的都是金属原子与磺酸根基团形成键的配位聚合物。化合物(I)是三维配位聚合物，(V)是二维配位聚合物，(II)和(III)都是一维配位聚合物。将这些结构中偶氮配体和水配体的配位行为、配位聚合物的维度以及整体堆积模式与单磺酸单偶氮同系物的进行了对比。发现(I)和(II)采用了与单磺酸物种相似的结构类型，但其他三种结构则不然。
