Crystal structures of fisetin dihydrate and luteolin monohydrate: crystallization from ethanol–water mixtures

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI:10.1107/S2056989026006353

Neta Caspin, Natalia Fridman, Avi Shpigelman

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引用次数: 0

Abstract

The crystal structures of two hydrates of aglycon flavonoids, fisetin dihydrate [systematic name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one dihydrate, C₁₅H₁₀O₆·2H₂O, P2₁, Z = 2] and luteolin monohydrate [systematic name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one monohydrate, C₁₅H₁₀O₆·H₂O, P4₁2₁2, Z = 8] were determined by single-crystal X-ray diffraction (SCXRD) and are reported for the first time. The two crystal forms were obtained from ethanol–water mixtures. These structures provide a foundation for future studies on the thermodynamic role of water molecules in crystal stability and packing, enabling further investigation of hydration effects on flavonoid solubility and stability.

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二水合非瑟酮和一水合木犀草素的晶体结构：乙醇-水混合物结晶。

用单晶x射线衍射（SCXRD）技术首次测定了糖酮类黄酮的两种水合物非西汀二水合物[系统名称：2-（3,4-二羟基苯基）-3,7-二羟基- 4h -1-苯并吡喃-4- 1二水合物，C15H10O6·H2O, P21, Z = 2]和木草素一水合物[系统名称：2-（3,4-二羟基-苯基）-3,7-二羟基- 4h -1-苯并吡喃-4- 1一水合物，C15H10O6·H2O, P41212, Z = 8]的晶体结构。这两种晶体形式是由乙醇-水混合物得到的。这些结构为进一步研究水分子在晶体稳定性和堆积中的热力学作用奠定了基础，为进一步研究水合作用对类黄酮溶解度和稳定性的影响奠定了基础。

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 E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.