3-（叠氮甲基）苯甲酸的构象多态性

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Acta Crystallographica Section C Structural Chemistry Pub Date : 2023-08-10 DOI:10.1107/s2053229623006824

Daniel A. Decato, Michael Jahnke, Orion B. Berryman

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引用次数: 0

摘要

报道了3-(叠氮多甲基)苯甲酸C8H7N3O2的三个构象多态性。这三种结构都保持相似的羧酸二聚体和π -π堆积。晶体结构分析和计算评价强调叠氮多甲基是构象多态性的来源，因此在固态反应的设计中具有潜在的意义。

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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Conformational polymorphism of 3-(azidomethyl)benzoic acid

Three conformational polymorphs of 3-(azidomethyl)benzoic acid, C8H7N3O2, are reported. All three structures maintain similar carboxylic acid dimers and π–π stacking. Crystal structure analysis and computational evaluations highlight the azidomethyl group as a source of conformational polymorphism, thus having potential implications in the design of solid-state reactions.

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来源期刊

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

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.