首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of 2-(46-di­amino­pyrimidin-2-yl)sulfan­yl-N-(24-di­methyl­phen­yl)acetamide and 2-(46-di­amino­pyrimidin-2-yl)sulfan­yl-N-(3-meth­oxy­phen­yl)acetamide
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Crystal structures of 2-(46-di­amino­pyrimidin-2-yl)sulfan­yl-N-(24-di­methyl­phen­yl)acetamide and 2-(46-di­amino­pyrimidin-2-yl)sulfan­yl-N-(3-meth­oxy­phen­yl)acetamide

机译:2-((46-二氨基嘧啶-2-基)硫烷基 -N-(24-二甲基苯基)乙酰胺和2-(46-二氨基嘧啶-2-基)硫烷基 -N-的晶体结构(3-甲氧基苯基)乙酰胺

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摘要

In the title compounds, C14H17N5OS (I) and C13H15N5O2S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intra­molecular C—H⋯O hydrogen bond, and in (II) there is also an intra­molecular N—H⋯N hydrogen bond present. In the crystals of both compounds, a pair of N—H⋯N hydrogen bonds links the individual mol­ecules to form inversion dimers with R 2 2(8) ring motifs. In (I), the dimers are linked by N—H⋯O and C—H⋯O hydrogen bonds, enclosing R 2 1(14), R 2 1(11) and R 2 1(7) ring motifs, forming layers parallel to the (100) plane. There is also an N—H⋯π inter­action present within the layer. In (II), the inversion dimers are linked by N—H⋯O hydrogen bonds enclosing an R 4 4(18) ring motif. The presence of N—H⋯O and C—H⋯O hydrogen bonds generate an R 2 1(6) ring motif. The combination of these various hydrogen bonds results in the formation of layers parallel to the (1-11) plane.
机译:在标题化合物C14H17N5OS(I)和C13H15N5O2S(II)中,嘧啶和苯环之间的二面角在(I)中为58.64°(8)°,在(II)中为78.33°(9)°。在这两种化合物中,均存在分子内CHHH氢键,在(II)中还存在分子内NHHN氢键。在这两种化合物的晶体中,一对N-H⋯N氢键将各个分子连接起来,形成具有R 2 2 (8)环基序的倒置二聚体。在(I)中,二聚体通过NH和CH的氢键连接,包围R 2 1 (14),R 2 1 ( 11)和R 2 1 (7)环基序,形成平行于(100)平面的层。在该层中还存在一个N-H⋯π相互作用。在(II)中,反转二聚体通过NH 4氢键连接,该氢键包围R 4 4 (18)环基序。 N-H⋯O和C-H⋯O氢键的存在产生R 2 1 (6)环基序。这些各种氢键的组合导致形成平行于(1-11)平面的层。

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