Morpholinium 2,4-dinitrophenolate Aqua Salt and Ethylenediammonium 2,4-dinitrophenolate Aqua Salt |
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Authors: | Márcio Lazzarotto Eduardo Ernesto Castellano Francine Furtado Nachtigall |
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Institution: | 1.Departamento de Química Organica,UFRGS,Porto Alegre,Brazil;2.Departamento de Física,USP, S?o Carlos,Sao Carlos,Brazil |
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Abstract: | Abstract The structures of the aqua salts of 2,4-dinitrophenolate (2,4-DNP−) with ethylenediammonium (EDA2+) and morpholinium (MP+) have been determined by X-ray diffraction, the first with 2:1 stoichiometry. The EDA2+ salt crystallizes in P21/c space group, with a = 5.887; b = 23.441; c = 7.075, β = 96.61, R1 = 0.0365 for reflections with Fo > 4sig(Fo). MP+ salt crystallizes as P–1 space group; a = 6.655; b = 9.388 c = 11.452; α = 104.82 β = 102.31 γ = 105.24, with R1 = 0.0334. Phenolates and ammonium groups interact through hydrogen bonds and the N+···O distances for MP+ and EDA2+ salts are 2.783 ? and 2.812 ?, respectively. There is one water molecule by asymmetric unit, interacting with phenolate and
ammonium ions. The arrays of hydrogen bonds are cyclic, with six and four members alternated and the position of the units
is dependent on the ability to form hydrogen bonds. The Job’s plot for ethylenediamine and 2,4 dinitrophenol shows the same
2:1 stoichiometry in ethanol for EDA2+-2,4-DNP− salt.
Graphical abstract Structures of the dinitrophenolate aqua salts of morpholinium and ethylenediammonium are described with cyclic networks of
hydrogen bonds between the species.
![MediaObjects/10870_2007_9235_Figa_HTML.gif](/content/f8t085n117u88m50/MediaObjects/10870_2007_9235_Figa_HTML.gif) |
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Keywords: | 2 4-dinitrophenol Ammonium salts Morpholine Ethylenediamine X-ray diffraction |
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