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3'-氨基环己烷螺-5'-乙内酰脲中的二态性

Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin.

作者信息

Shivachev Boris, Petrova Rosica, Naydenova Emilia

机构信息

Bulgarian Academy of Sciences, Central Laboratory of Mineralogy and Crystallography, Acad G. Bonchev Street, Building 107, 1113 Sofia, Bulgaria.

出版信息

Acta Crystallogr C. 2005 Aug;61(Pt 8):o524-6. doi: 10.1107/S0108270105016033. Epub 2005 Jul 30.

Abstract

The title compound [systematic name: 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione], C8H13N3O2, has been synthesized and was found to crystallize in two different structures, both monoclinic and both with the same P2(1)/c space group. In the first structure, there are two molecules in the asymmetric unit, one of which uses all of its hydrogen-bond donors and acceptors and forms undulating layers, while the other forms chains propagating perpendicular to the layers. In the second structure, there is only one independent molecule and the packing is based on a chain structure mediated by hydrogen bonding between the hydantoin moieties and further grouped into hydrophilic layers separated by layers of the hydrophobic cyclohexyl groups.

摘要

标题化合物[系统名称:1'-氨基环己烷螺-4'-咪唑-2',5'(3'H,4'H)-二酮],C8H13N3O2,已被合成,并且发现其以两种不同结构结晶,二者均为单斜晶系且具有相同的P2(1)/c空间群。在第一种结构中,不对称单元中有两个分子,其中一个利用其所有氢键供体和受体形成起伏层,而另一个形成垂直于层传播的链。在第二种结构中,只有一个独立分子,堆积基于由乙内酰脲部分之间的氢键介导的链结构,并进一步聚集成由疏水环己基层隔开的亲水层。

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