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Structures of piperazine, piperidine and morpholine

机译:哌嗪,哌啶和吗啉的结构

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The crystal structures of piperazine, piperidine and morpholine have been determined at 150 K. All three structures are characterized by the formation of NH...N hydrogen-bonded chains. In piperazine these are linked to form sheets, but the chains are shifted so that the molecules interleave. In morpholine there are in addition weak CH...O interactions. Topological analyses show that these three structures are closely related to that of cyclohexane-II, which can be described in terms of a pseudo-cubic close-packed array of molecules in a familiar ABC layered arrangement. While the positions of the molecules within each layer are similar, hydrogen bonding occurs between the ABC layers and in order to accommodate this the molecules are rotated relative to those in cyclohexane-II. Piperidine and morpholine also adopt layered structures, with hydrogen-bonding or CH...O interactions between the layers. In these cases, however, the layering more resembles a hexagonal close-packed arrangement. [References: 34]
机译:已在150 K下确定了哌嗪,哌啶和吗啉的晶体结构。所有三个结构的特征是形成NH ... N氢键链。在哌嗪中,这些被链接形成片状,但是链移位了,使得分子交错。吗啉中还存在弱的CH ... O相互作用。拓扑分析表明,这三个结构与环己烷-II密切相关,可以用熟悉的ABC分层排列的伪立方紧密堆积的分子阵列来描述。尽管各层中分子的位置相似,但氢键在ABC层之间发生,为了适应这种情况,分子相对于环己烷-II中的分子旋转。哌啶和吗啉也采用分层结构,各层之间存在氢键或CH ... O相互作用。然而,在这些情况下,该层更类似于六边形密排布置。 [参考:34]

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