caa a22 4500 463184645 CHVBK 20180406164849.0 cr unu---uuuuu 170326e20071001xx s 000 0 eng 10.1007/s10870-007-9235-4 doi (NATIONALLICENCE)springer-10.1007/s10870-007-9235-4 Morpholinium 2,4-dinitrophenolate Aqua Salt and Ethylenediammonium 2,4-dinitrophenolate Aqua Salt [Elektronische Daten] [Márcio Lazzarotto, Eduardo Castellano, Francine Nachtigall] 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 2.783Å and 2.812Å, 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. Springer Science+Business Media, LLC, 2007 2,4-dinitrophenol nationallicence Ammonium salts nationallicence Morpholine nationallicence Ethylenediamine nationallicence X-ray diffraction nationallicence Lazzarotto Márcio Departamento de Química Orgânica, UFRGS, Av. Bento Gonçalves, 9500, Porto Alegre, RS, Brazil aut Castellano Eduardo Departamento de Física, USP, São Carlos, Av. Trabalhador São Carlense, 400-Centro, CEP 13566-590, Sao Carlos, SP, Brazil aut Nachtigall Francine Departamento de Química Orgânica, UFRGS, Av. Bento Gonçalves, 9500, Porto Alegre, RS, Brazil aut Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/10(2007-10-01), 699-705 1074-1542 37:10<699 2007 37 10870 https://doi.org/10.1007/s10870-007-9235-4 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10870-007-9235-4 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Lazzarotto Márcio Departamento de Química Orgânica, UFRGS, Av. Bento Gonçalves, 9500, Porto Alegre, RS, Brazil aut NATIONALLICENCE 700 1- Castellano Eduardo Departamento de Física, USP, São Carlos, Av. Trabalhador São Carlense, 400-Centro, CEP 13566-590, Sao Carlos, SP, Brazil aut NATIONALLICENCE 700 1- Nachtigall Francine Departamento de Química Orgânica, UFRGS, Av. Bento Gonçalves, 9500, Porto Alegre, RS, Brazil aut NATIONALLICENCE 773 0- Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/10(2007-10-01), 699-705 1074-1542 37:10<699 2007 37 10870 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer