化学
脱质子化
水合物
氢键
钾
部分
药物化学
质子化
醋酸
结晶学
无机化学
协调数
立体化学
离子
分子
有机化学
作者
M Krawczyk,Tadeusz Lis
出处
期刊:Acta Crystallographica Section C-crystal Structure Communications
[International Union of Crystallography]
日期:2011-06-29
卷期号:67 (7): m266-m274
被引量:5
标识
DOI:10.1107/s010827011102244x
摘要
Three potassium edta (edta is ethylenediaminetetraacetic acid, H4Y) salts which have different degrees of ionization of the edta anion, namely dipotassium 2-({2-[bis(carboxylatomethyl)azaniumyl]ethyl}(carboxylatomethyl)azaniumyl)acetate dihydrate, 2K+·C10H14N2O82−·2H2O, (I), tripotassium 2,2′-({2-[bis(carboxylatomethyl)amino]ethyl}ammonio)diacetate dihydrate, 3K+·C10H13N2O83−·2H2O, (II), and tetrapotassium 2,2′,2′′,2′′′-(ethane-1,2-diyldinitrilo)tetraacetate 3.92-hydrate, 4K+·C10H12N2O84−·3.92H2O, (III), were obtained in crystalline form from water solutions after mixing edta with potassium hydroxide in different molar ratios. In (II), a new mode of coordination of the edta anion to the metal is observed. The HY3− anion contains one deprotonated N atom coordinated to K+ and the second N atom is involved in intramolecular bifurcated N—H⋯O and N—H⋯N hydrogen bonds. The overall conformation of the HY3− anions is very similar to that of the Y4− anions in (III), although a slightly different spatial arrangement of the –CH2COO− groups in relation to (III) is observed, whereas the H2Y2− anions in (I) adopt a distinctly different geometry. The preferred synclinal conformation of the –NCH2CH2N– moiety was found for all edta anions. In all three crystals, the anions and water molecules are arranged in three-dimensional networks linked via O—H⋯O and C—H⋯O [and N—H⋯O in (I) and (II)] hydrogen bonds. K⋯O interactions also contribute to the three-dimensional polymeric architecture of the salts.
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