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2-Amino-4-meth--oxy-6-methyl-pyrimidinium hydrogen phthalate

机译:2-氨基-4-甲基-氧基-6-甲基-嘧啶邻苯二甲酸氢盐

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In the hydrogen phthalate anion of the title mol-ecular salt, C6H10N3O+·C8H5O4?, the dihedral angles formed by the benzene ring and the mean planes of the –COOH and –COO??groups are 16.1?(3) and 19.8?(3)°, respectively. There is an intra-molecular O—H?O hydrogen bond in the anion generating an?S(7) ring motif. In the crystal, the protonated N atom of the pyrimidinium ring and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion?via?a pair of N—H?O hydrogen bonds, forming an?R22(8) ring motif. The ion pairs are further connected?via?N—H?O and C—H?O hydrogen bonds, forming ribbons parallel to the [01-1] direction. The ribbons are linked by off-set?π–π?stacking inter-actions [inter-centroid distances = 3.8279?(16) and 3.6074?(15)??], forming a three-dimensional structure.
机译:在标题分子盐C6H10N3O +·C8H5O4α的邻苯二甲酸氢阴离子中,苯环与-COOH和-COO-α基团的平均平面形成的二面角分别为16.1°(3)和19.8°( 3)°。在阴离子中有一个分子内的OH H 2 O氢键产生一个?S(7)环基序。在晶体中,嘧啶环的质子化的N原子和阳离子的2-氨基通过一对N-H2O氢键氢键合到阴离子的羧基O原子上。 R22(8)环基序。离子对还通过ΔNH-CH和CHOH-氢键连接,形成平行于[01-1]方向的带。色带通过偏移的π-π堆叠相互作用[质心间距离= 3.8279?(16)和3.6074?(15)??]链接,形成三维结构。

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