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首页> 外文期刊>Crystal growth & design >Hydrophobic vs. hydrophilic: Ionic competition in remacemide salt structures
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Hydrophobic vs. hydrophilic: Ionic competition in remacemide salt structures

机译：疏水性与亲水性：瑞马克美盐结构中的离子竞争

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Remacemide [2-aniino-N-(1-methyl-1,2-diphenylethyl)-acetamide] was developed as a potential antagonist for epilepsy, Parkinsonism, and Huntington's disease. This paper investigates hydrophilic and hydrophobic intermolecular interactions that occur within the series of crystal structures comprising remacemide 1 and six of its salts [2 = chloride; 3 = nitrate; 4 = acetate (C2H3O2-); 5 = hydrogenfumarate (C4H3O4-); 6 = naphthalene-2-sulfonate (napsilate, C10H7O3S-); 7 = 1-hydroxynaphthalene-2-carboxylate (xinafoate, C11H7O3-)]. The hydrophilic interactions are described through graph set analyses of the hydrogen bond motifs and networks. The lattice of 1 comprises unidirectional, one-dimensional chains of molecules parallel to the c-axis. In 2, the cation-anion hydrogen bonding imposes a well-defined hydrophilic stratum structure on the lattice. As the cation itself is amphiphilic, a natural consequence of this is the creation of two-dimensional stacked layers with alternating hydrophilic and hydrophobic character (lattice bilayers). This tendency to form bilayers within the lattice is also observed in structures 3-5 (polar anions) and structures 6-7 (amphiphilic anions). Relatively few well-directed intermolecular interactions are observed between aromatic rings, either in 1 or in the hydrophobic layers of 2-7. Therefore, it is concluded that it is the hydrophilic hydrogen bond interactions that dominate the crystal packing and drive the segregation into lattice bilayers in the salt crystal structures.
机译：Remacemide [2-苯胺基-N-（1-甲基-1,2-二苯乙基）-乙酰胺]被开发为癫痫，帕金森氏病和亨廷顿氏病的潜在拮抗剂。本文研究了亲水性和疏水性分子间的相互作用，这些相互作用发生在包含瑞卡米特1及其六种盐[2 =氯化物; 3 =硝酸盐; 4 =醋酸盐（C2H3O2-）; 5 =富马酸氢盐（C4H3O4-）; 6 =萘-2-磺酸盐（萘酚盐，C10H7O3S-）; 7 ＝ 1-羟基萘-2-羧酸酯（新萘酸酯，C 11 H 7 O 3-）。通过氢键基序和网络的图形集分析描述了亲水相互作用。 1的晶格包括平行于c轴的单向一维分子链。在2中，阳离子-阴离子氢键在晶格上施加了明确定义的亲水层结构。由于阳离子本身是两亲性的，因此自然产生的结果是创建具有交替的亲水性和疏水性的二维堆叠层（晶格双层）。在结构3-5（极性阴离子）和结构6-7（两性阴离子）中也观察到了在晶格内形成双层的趋势。在1或2-7的疏水层中，在芳环之间观察到的定向分子间相互作用相对较少。因此，可以得出结论，正是亲水氢键相互作用主导了晶体堆积，并驱使偏析成盐晶体结构中的晶格双层。

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