Transannular S···N interactions in 10-ethynyl-10H-phenothiazine 5-oxide and 5,5-dioxide.

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-30 DOI:10.1107/S0108270113031661

Satoru Umezono, Satoshi Ikeda, Tsunehisa Okuno

引用次数: 1

Abstract

The title compounds, C14H9NOS, (1), and C14H9NO2S, (2), are oxidation products of the parent compound 10-ethynyl-10H-phenothiazine. They differ with respect to transannular interactions, the intramolecular S···N contact being shorter in (2). Intermolecular Csp-H···O hydrogen bonds were detected in both crystals, and (1) was found to form stronger hydrogen bonds. These results are in agreement with the lower acidity of Csp-H in (2), caused by an increase in π-electron density due to the transannular S···N interaction.

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10-乙基- 10h -吩噻嗪5-氧化物和5,5-二氧化氮的跨环S···N相互作用

标题化合物C14H9NOS(1)和C14H9NO2S(2)是母体化合物10-乙基- 10h -吩噻嗪的氧化产物。它们在跨环相互作用方面有所不同，(2)中分子内的S··N接触更短。(1)中发现分子间的Csp-H··O氢键更强。这些结果与(2)中Csp-H较低的酸度一致，这是由于跨环S···N相互作用导致π电子密度增加所致。

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.