Single-crystal structure determination of psilocybin after dehydration.

IF 1.1 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2026-09-01 Epub Date: 2026-08-07 DOI:10.1107/S2053229626007692

Sonya K Emmett, Lee Cameron, Mark Hestermann, Darren Holland, Simon Kessler, Luke McFarlane, Yit Heng Chooi, Stephen A Moggach

引用次数: 0

Abstract

The crystal structure of the known low-temperature anhydrous phase of psilocybin {3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate, C₁₂H₁₇N₂O₄P} is reported. While the structure was previously characterized using powder X-ray diffraction, this study describes the first determination via single-crystal X-ray diffraction. High-resolution structural models were obtained both before and after in situ dehydration, allowing for a direct comparison of the lattice response to water loss.

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裸盖菇素脱水后单晶结构的测定。

报道了已知裸盖菇素{3-[2-（二甲氨基）乙基]- 1h -吲哚-4-基磷酸二氢，C12H17N2O4P}低温无水相的晶体结构。虽然先前使用粉末x射线衍射表征了结构，但本研究描述了通过单晶x射线衍射首次确定的结构。在原位脱水前后都获得了高分辨率的结构模型，从而可以直接比较晶格对水分损失的响应。

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 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.