Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2024-12-01 DOI:10.1107/S2052520624008710

A A Gaydamaka, S V Rashchenko

引用次数: 0

Abstract

The crystal structure of the incommensurate modulated phase of potassium guaninate monohydrate has been solved on the basis of high-pressure single-crystal X-ray diffraction data. The modulated structure was described as a `mosaic' sequence of three different local configurations of two neighbouring guaninate rings. In contrast to known examples of incommensurate modulated organic compounds, the modulation functions of all atoms are discontinuous. This is the first example of the experimental detection of an incommensurate modulated crystal structure that can be modelled using the special `soliton mode' modulation function proposed by Aramburu et al. [(1995), J. Phys. Condens. Matter, 7, 6187-6196].

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鸟苷酸钾一水合物不相称调制高压相的晶体结构。

根据高压单晶 X 射线衍射数据，解决了鸟苷酸钾一水合物不相称调制相的晶体结构问题。调制结构被描述为两个相邻鸟苷酸环的三种不同局部构型的 "马赛克 "序列。与已知的不对称调制有机化合物不同，所有原子的调制函数都是不连续的。这是用 Aramburu 等人提出的特殊 "soliton 模式 "调制函数来模拟非通量调制晶体结构的第一个实验检测实例[（1995 年），J. Phys. Condens. Matter, 7, 6187-6196]。

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 B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.