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首页> 外文期刊>Crystal growth & design >Crystal Engineering of Organic Salts: Hydrogen-Bonded Supramolecular Motifs in Pyrimethamine Hydrogen Glutarate and Pyrimethamine Formate
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Crystal Engineering of Organic Salts: Hydrogen-Bonded Supramolecular Motifs in Pyrimethamine Hydrogen Glutarate and Pyrimethamine Formate

机译：有机盐的晶体工程：乙醛酸乙二胺和甲乙胺中的氢键超分子基序

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摘要

In the crystal structures of the two organic salts, namely, pyrimethamine hydrogen glutamate (1:1) 1 and pyrimethamine formate (1:1) 2, the pyrimethamine moieties are protonated at one of the nitrogen atoms of the pyrimidine rings. The carboxylate group of the respective anions (hydrogen glutamate and formate) interacts with the protonated pyrimidine moiety in a near linear fashion through a pair of N-H…O hydrogen bonds. The dihedral angle between the diaminopyrimidine and the p-chlorophenyl plane is 74.8(1)°in compound 1, and the corresponding value in compound 2 is 76.7(1)°. In both compounds, the pyrimidine moieties are centrosymmetrically paired through a pair of N-H°N hydrogen bonds. The 2-amino group of the one member of the pair and the 4-amino group of the other member are bridged by an O atom of the carboxylate group, using a pair of N-H…O hydrogen bonds. This combination of hydrogen bonds results in the complementary DADA (D = donor and A = acceptor in hydrogen bonds) arrays of quadruple hydrogen-bonding patterns. In compound 1, there are chains and landers made up of the O-H…O, N-H…O, and C-H…N hydrogen bonds whereas compound 2 displays a three-dimensional network of hydrogen bonds.
机译：在两种有机盐的晶体结构中，即乙胺嘧啶谷氨酸氢盐（1：1）1和乙胺嘧啶甲酸（1：1）2，乙胺胺部分在嘧啶环的氮原子之一处质子化。各个阴离子（谷氨酸氢盐和甲酸盐）的羧酸根基团通过一对N-H…O氢键与质子化嘧啶部分以近乎线性的方式相互作用。在化合物1中，二氨基嘧啶与对氯苯基平面之间的二面角为74.8（1）°，在化合物2中的对应值为76.7（1）°。在这两种化合物中，嘧啶部分均通过一对N-H°N氢键中心对称地配对。使用一对N-H…O氢键，一对中一个成员的2-氨基和另一个成员的4-氨基被羧酸酯基的O原子桥接。氢键的这种组合产生了四重氢键模式的互补DADA（D =供体和A =氢键中的受体）阵列。在化合物1中，有由O-H…O，N-H…O和C-H…N氢键组成的链和着陆器，而化合物2显示了氢键的三维网络。

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