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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid
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Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid

机译：3,5-二硝基苯甲酸，4-硝基苯甲酸和2,4-二氯苯甲酸铵盐中氢键键合的二维和三维聚合物结构

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摘要

The structures of ammonium 3,5-dinitrobenzoate, NH4+·C7H3N2O6?, (I), ammonium 4-nitrobenzoate dihydrate, NH4+·C7H4NO4?·2H2O, (II), and ammonium 2,4-dichlorobenzoate hemihydrate, NH4+·C7H3Cl2O2?·0.5H2O, (III), have been determined and their hydrogen-bonded structures are described. All three salts form hydrogen-bonded polymeric structures, viz. three-dimensional in (I) and two-dimensional in (II) and (III). With (I), a primary cation–anion cyclic association is formed [graph set R43(10)] through N—H...O hydrogen bonds, involving a carboxylate group with both O atoms contributing to the hydrogen bonds (denoted O,O′-carboxylate) on one side and a carboxylate group with one O atom involved in two hydrogen bonds (denoted O-carboxylate) on the other. Structure extension involves N—H...O hydrogen bonds to both carboxylate and nitro O-atom acceptors. With structure (II), the primary inter-species interactions and structure extension into layers lying parallel to (001) are through conjoined cyclic hydrogen-bonding motifs, viz.R43(10) (one cation, an O,O′-carboxylate group and two water molecules) and centrosymmetric R42(8) (two cations and two water molecules). The structure of (III) also has conjoined R43(10) and centrosymmetric R42(8) motifs in the layered structure but these differ in that the first motif involves one cation, an O,O′-carboxylate group, an O-carboxylate group and one water molecule, and the second motif involves two cations and two O-carboxylate groups. The layers lie parallel to (100). The structures of salt hydrates (II) and (III), displaying two-dimensional layered arrays through conjoined hydrogen-bonded nets, provide further illustration of a previously indicated trend among ammonium salts of carboxylic acids, but the anhydrous three-dimensional structure of (I) is inconsistent with that trend.
机译：3,5-二硝基苯甲酸铵，NH4 +·C7H3N2O6？（I），4-硝基苯甲酸铵二水合物，NH4 +·C7H4NO4？·2H2O，（II）和2,4-二氯苯甲酸铵半水合物，NH4 +·C7H3Cl2O2？·的结构确定了0.5H2O（III）并描述了它们的氢键结构。所有这三种盐形成氢键键合的聚合物结构，即。在（I）中为三维，在（II）和（III）中为二维。在（I）中，通过N-H ... O氢键形成一个初级阳离子-阴离子环状缔合[图集R43（10）]，该氢键涉及一个带有两个O原子均构成氢键的羧酸酯基（表示为O， O'-羧酸盐）的一侧，具有一个O原子的羧基与另一侧的两个氢键有关的羧酸盐基团（表示为O-羧酸盐）。结构扩展涉及到羧酸盐和硝基O原子受体的N-H ... O氢键。对于结构（II），主要的种间相互作用和结构延伸成平行于（001）的层是通过相连的环状氢键基序即R43（10）（一个阳离子，一个O，O'-羧酸根基团）和两个水分子）和中心对称的R42（8）（两个阳离子和两个水分子）。 （III）的结构在层状结构中还具有相连的R43（10）和中心对称的R42（8）基序，但是这些不同之处在于，第一基序涉及一个阳离子，O，O'-羧酸根基团，O-羧酸根基团。一个水分子，第二个基序包含两个阳离子和两个O-羧酸根基团。这些层平行于（100）。盐水合物（II）和（III）的结构通过相连的氢键网显示二维分层阵列，进一步说明了羧酸铵盐中先前指示的趋势，但（）的无水三维结构I）与这种趋势不一致。

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