Imidazolidin-2-one: pseudosymmetry and twinning.

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-15 DOI:10.1107/S0108270113030746

Christina Taouss, Peter G Jones, Daniel J Tindall

引用次数: 1

Abstract

The title compound, C3H6N2O, crystallizes with imposed twofold symmetry in the space group I4(1)/a. The five-membered ring displays a half-chair conformation. N-H···O hydrogen bonds connect the molecules to form R2(2)(8) rings and thence ribbons parallel to the a and b axes. These intersect via O2H2 rings involving longer H···O contacts. The crystal was merohedrally twinned. Preliminary indications of the higher symmetry space group I4(1)/amd, which would require the ring to be planar, proved to be incorrect. A previous brief report of the structure in Fdd2 is also probably incorrect.

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咪唑烷-2- 1:假对称和孪生。

标题化合物C3H6N2O在空间群I4(1)/a中具有双重对称结晶。五元环呈半椅状构象。N-H···O氢键连接分子形成R2(2)(8)环，并由此形成平行于a轴和b轴的带状。它们通过含有更长的H··O接触的O2H2环相交。晶体呈双晶面孪晶。更高对称空间群I4(1)/amd的初步迹象，这将要求环是平面的，证明是不正确的。之前关于Fdd2中结构的简短报告也可能是不正确的。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta crystallographica. Section C, Crystal structure communications 化学-晶体学

自引率

12.50%

发文量

审稿时长

1 months

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.