Revisiting a natural wine salt: calcium (2R,3R)-tartrate tetrahydrate.

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2024-10-01 Epub Date: 2024-09-04 DOI:10.1107/S2053229624008015

Alvaro Polo, Alejandro Soriano-Jarabo, Ricardo Rodríguez, Ramón Macías, Pilar García-Orduña, Pablo J Sanz Miguel

引用次数: 0

Abstract

The crystal structure of the salt calcium (2R,3R)-tartrate tetrahydrate {systematic name: poly[[diaqua[μ₄-(2R,3R)-2,3-dihydroxybutanedioato]calcium(II)] dihydrate]}, {[Ca(C₄H₈O₈)(H₂O)₂]·2H₂O}_n, is reported. The absolute configuration of the crystal was established unambiguously using anomalous dispersion effects in the diffraction patterns. High-quality data also allowed the location and free refinement of all the H atoms, and therefore to a careful analysis of the hydrogen-bond interactions.

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重新审视一种天然葡萄酒盐：酒石酸钙（2R,3R）四水合物。

报告了 (2R,3R)-酒石酸钙四水合物{系统名称：聚[[二夸[μ4-(2R,3R)-2,3-二羟基丁二酸]钙(II)]二水合物]}，{[Ca(C4H8O8)(H2O)2]-2H2O}n}的晶体结构。利用衍射图样中的反常色散效应，明确地确定了晶体的绝对构型。高质量的数据还允许对所有氢原子进行定位和自由细化，从而对氢键相互作用进行了仔细分析。

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.