正己胺的高压晶体结构。

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2025-06-01 Epub Date: 2025-05-27 DOI:10.1107/S2053229625004504

Bernadetta Kuleczka, Natalia Sacharczuk, Anna Olejniczak, Marcin Podsiadło

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引用次数: 0

摘要

用单晶x射线衍射在高压下研究了伯胺，正己胺（HA, C6H15N）。这种化合物的结构已经确定，在室温下，从冻结压力到1.40 GPa。高压下的HA在Pca21空间群中结晶，Pca21空间群是在环境压力和低温下发现的。N-H…的可压缩性N氢键与最短的C-H键进行了比较。N和H…H的分子间距离，表明H…H的分子间距离具有最高的可压缩性。

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High-pressure crystal structure of n-hexylamine.

A primary amine, n-hexylamine (HA, C₆H₁₅N), has been studied at high pressure by single-crystal X-ray diffraction. The structure of this compound has been determined, at ambient temperature, from the freezing pressure up to 1.40 GPa. HA at high pressure crystallizes in the space group Pca2₁, which was already found at ambient pressure and low temperature. The compressibility of the N-H...N hydrogen bonds has been compared with that of the shortest C-H...N and H...H intermolecular distances, revealing that the H...H distances exhibit the highest degree of compressibility among them.

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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.