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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures and hydrogen bonding in the anhydrous tryptaminium salts of the isomeric (2,4-di­chloro­phen­oxy)acetic and (3,5-di­chloro­phen­oxy)acetic acids
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Crystal structures and hydrogen bonding in the anhydrous tryptaminium salts of the isomeric (2,4-di­chloro­phen­oxy)acetic and (3,5-di­chloro­phen­oxy)acetic acids

机译：（2,4-二氯苯氧基）乙酸异构体和（3,5-二氯苯氧基）乙酸异构体的无水色胺盐的晶体结构和氢键

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The anhydrous salts of 2-(1H-indol-3-yl)ethanamine (tryptamine) with isomeric (2,4-di­chloro­phen­oxy)acetic acid (2,4-D) and (3,5-di­chloro­phen­oxy)acetic (3,5-D), both C10H13N2+·C8H5Cl2O3− [(I) and (II), respectively], have been determined and their one-dimensional hydrogen-bonded polymeric structures are described. In the crystal of (I), the aminium H atoms are involved in three separate inter-species N—H⋯O hydrogen-bonding inter­actions, two with carboxyl­ate O-atom acceptors and the third in an asymmetric three-centre bidentate carboxyl­ate O,O′ chelate [graph set R12(4)]. The indole H atom forms an N—H⋯Ocarboxyl­ate hydrogen bond, extending the chain structure along the b-axis direction. In (II), two of the three aminium H atoms are also involved in N—H⋯Ocarboxyl­ate hydrogen bonds similar to (I) but with the third, a three-centre asymmetric inter­action with carboxyl­ate and phen­oxy O atoms is found [graph set R12(5)]. The chain polymeric extension is also along b. There are no π–π ring inter­actions in either of the structures. The aminium side-chain conformations differ significantly between the two structures, reflecting the conformational ambivalence of the tryptaminium cation, as found also in the benzoate salts.
机译：2-（1H-吲哚-3-基）乙胺（色胺）与异构体（2,4-二氯苯氧基）乙酸（2,4-D）和（3,5-二氯苯氧基）乙酸（3,5 -D），已经确定了C 10 H 13 N 2 +·C 8 H 5 Cl 2 O 3-[分别为（I）和（II）]，并且描述了它们的一维氢键键合的聚合物结构。在（I）的晶体中，铵H原子参与三个单独的种间N-H⋯O氢键相互作用，两个与羧酸O原子受体结合，第三个与不对称三中心双齿羧酸O结合， O'螯合物[图组R12（4）]。吲哚H原子形成N-H ＝ O羧化氢键，沿b轴方向延伸链结构。在（II）中，三个铵氢原子中的两个也与（I）类似地参与了NH-O羧酸盐氢键，但在第三个中，发现了与羧酸盐和苯氧基O原子的三中心不对称相互作用[图集R12（5）]。链聚合物延伸也沿b。在任何一个结构中都没有π–π环相互作用。铵侧链构象在两个结构之间存在显着差异，这反映了类pt胺阳离子的构象二价性，这也可在苯甲酸盐中发现。

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