用x射线粉末衍射数据解析农药二硫农四种多晶型结构。

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-12-01 Epub Date: 2012-10-23 DOI:10.1107/S0108768112036191

Ivan Halasz, Robert Dinnebier, Tiziana Chiodo, Heidi Saxell

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引用次数: 5

摘要

通过粉末衍射分析，确定了农药二硫农(5,10-二氢-5,10-二氧膦[2,3-b]-1,4-二硫-2,3-二腈)四种多晶型化合物的晶体结构，并用Rietveld法对其进行了细化。三种多晶在非中心对称空间群中结晶。两个多态的Z' > 1。这些结构是通过类奎尼碎片的羰基之间的相互作用组装成层的，这些层只通过弱相互作用进一步相互作用。

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Structures of four polymorphs of the pesticide dithianon solved from X-ray powder diffraction data.

The crystal structures of four polymorphs of the pesticide dithianon (5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiine-2,3-dicarbonitrile) have been solved from powder diffraction data and refined using the Rietveld method. Three polymorphs crystallize in non-centrosymmetric space groups. Two polymorphs have Z' > 1. The structures are assembled via interactions between carbonyl groups of quinoid fragments into layers which further interact only by weak interactions.

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来源期刊

Acta Crystallographica Section B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.