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Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with ortho-substituted monocyclic heteroaromatic Lewis bases

机译:5-磺基水杨酸的质子转移化合物与邻位取代的单环杂芳族路易斯碱的氢键结合

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摘要

The crystal structures of the 1:1 proton-transfer compounds of 5-sulfosalicylic acid with the ortho-substituted monocyclic heteroaromatic Lewis bases, 2-aminopyridine, 2-hydroxypyridine and 2-aminopyrimidine, viz. 2-aminopyridinium 5-sulfosalicylate (1), 2-hydroxypyridinium 5-sulfosalicylate monohydrate (2) and 2-aminopyrimidinium 5-sulfosalicylate monohydrate (3) have been determined and their hydrogen-bonding patterns described. All compounds are monoclinic, space group P21/c, with Z=4 in cells with dimensions a=7.898(5), b=11.159(11), c=14.912(7) Ŭ ߽96.849(11)ࠨ1);=7.260(2), b=15.292(3), c=12.615(2) Ŭ ߽102.45(5)ࠨ2) and a=7.0430(7), b=12.1871(16), c=16.2825(12) Ŭ ߽101.364(7)ࠨ3). All three compounds show some molecular disorder, in 1 within the cation species and with both 2 and 3, a similar rotational disorder in the anion sulfonate group. Hydrogen bonding in all three compounds together with significant cation-anion or cation-cation inter-ring p-p interactions generate three-dimensional layered polymer structures.
机译:5-磺基水杨酸的1:1质子转移化合物与邻位取代的单环杂芳族路易斯碱,2-氨基吡啶,2-羟基吡啶和2-氨基嘧啶的晶体结构,即。已经测定了2-氨基吡啶基5-磺基水杨酸酯(1),2-羟基吡啶基5-磺基水杨酸酯一水合物(2)和2-氨基嘧啶鎓5-磺基水杨酸酯一水合物(3),并描述了它们的氢键模式。所有化合物均为单斜晶系,空间群P21 / c,在尺寸为a = 7.898(5),b = 11.159(11),c = 14.912(7)߽96.849(11)ࠨ1)的单元格中Z = 4 7.260(2),b = 15.292(3),c = 12.615(2)߽102.45(5)ࠨ2)和a = 7.0430(7),b = 12.1871(16),c = 16.2825(12)߽101 .364(7)ࠨ3)。所有这三种化合物均显示出某种分子无序性,阳离子种类中的1种以及2和3型均显示出类似的阴离子磺酸盐基团的旋转紊乱。所有这三种化合物中的氢键以及显着的阳离子-阴离子或阳离子-阳离子环间p-p相互作用会生成三维分层聚合物结构。

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