5,6-二甲基苯并呋喃唑1-氧化物的4个多态性(多型)。

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-10-01 Epub Date: 2012-09-13 DOI:10.1107/S0108768112037457

Doyle Britton, Victor G Young, Wayland E Noland, Matthew J Pinnow, Christopher M Clark

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引用次数: 3

摘要

5,6-二甲基苯并呋喃唑1-氧化物(Me2BF)， C(8)H(8)N(2)O(2)，以四种相互为多型的多态形式存在。Me2BF的每一种多晶态都含有沿伪双轴无序排列的分子，并首尾相连地呈带状排列，带状通过弱的C-H··N和C-H··O相互作用形成近似平面的层。相邻层在不同的多晶态中以不同的方式相互作用。除了单个多态性中的孪生外，还发现了四个异位孪生的例子，即不同多态性之间的定向过度生长。

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Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide.

5,6-Dimethylbenzofurazan 1-oxide (Me2BF), C(8)H(8)N(2)O(2), occurs in four polymorphic forms that are polytypes of each other. Each polymorph of Me2BF contains molecules disordered about pseudo-twofold axes and arranged head-to-tail in ribbons, with the ribbons forming approximately planar layers held together by weak C-H···N and C-H···O interactions. Adjacent layers interact in different ways in the different polymorphs. In addition to twinning in the individual polymorphs, four examples of allotwining, that is, oriented overgrowths between different polymorphs, were found.

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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.