首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide
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Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide

机译:2-[((4,6-二氨基嘧啶-2-基)硫烷基] -N-(萘-1-基)乙酰胺和2-[(4,6-二氨基嘧啶-2-基)硫烷基] -N-的晶体结构(4-氟苯基)乙酰胺

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摘要

The title compounds, C16H15N5OS, (I), and C12H12FN5OS, (II), are [(di­amino­pyrimidine)­sulfan­yl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to the benzene ring by 58.93 (8)°. In (II), there is an intra­molecular N—H⋯N hydrogen bond and a short C—H⋯O contact. In the crystals of (I) and (II), mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R22(8) ring motifs. In the crystal of (I), the dimers are linked by bifurcated N—H⋯(O,O) and C—H⋯O hydrogen bonds, forming layers parallel to (100). In the crystal of (II), the dimers are linked by N—H⋯O hydrogen bonds, also forming layers parallel to (100). The layers are linked by C—H⋯F hydrogen bonds, forming a three-dimensional architecture.
机译:标题化合物C16H15N5OS(I)和C12H12FN5OS(II)是[(二氨基嘧啶)硫烷基]乙酰胺衍生物。在(I)中,嘧啶环相对于萘环体系倾斜55.5°(1)°,而在(II)中,嘧啶环相对于苯环倾斜58.93°(8)°。在(II)中,存在分子内NH 3 N氢键和短CH 3 O接触。在(I)和(II)的晶体中,分子通过成对的N-H⋯N氢键连接,形成具有R22(8)环基序的反型二聚体。在(I)的晶体中,二聚体通过分叉的NH-(O,O)和CHH-O氢键连接,形成平行于(100)的层。在(II)的晶体中,二聚体通过NH 3 O氢键连接,也形成平行于(100)的层。这些层通过CHF氢键连接,形成三维结构。

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