Revisiting a natural wine salt: calcium (2 <i>R</i> ,3 <i>R</i> )-tartrate tetrahydrate
The crystal structure of the salt calcium (2R,3R)-tartrate tetrahydrate {systematic name: poly[[diaqua[μ<sub>4</sub>-(2R,3R)-2,3-dihydroxybutanedioato]calcium(II)] dihydrate]}, {[Ca(C<sub>4</sub>H<sub>8</sub>O<sub>8</sub>)(H<sub>2</sub>O)<sub>2</sub>]·2H<sub>2</sub>O}<sub>n</sub>, 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.
Authors
- Alvaro Polo
- Ramón Macı́as (ORCID: https://orcid.org/0000-0003-2299-9428)
- Ricardo Rodrı́guez (ORCID: https://orcid.org/0000-0002-8845-0174)
- Pablo J. Sanz Miguel (ORCID: https://orcid.org/0000-0002-8220-6031)
- Pilar García‐Orduña (ORCID: https://orcid.org/0000-0002-7063-1292)
- Alejandro Soriano-Jarabo
Institutions
- Universidade Federal de Minas Gerais (BR)
- Universidad de Zaragoza (ES)
- Instituto de Síntesis Química y Catálisis Homogénea (ES)
Publication Details
- Journal
- Acta Crystallographica Section C Structural Chemistry
- Published
- 2024-08-23
- DOI
- https://doi.org/10.1107/s2053229624008015
- Citations
- 1
- Primary Topic
- Metabolomics and Mass Spectrometry Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.23
Funders
- Ministerio de Ciencia, Innovación y Universidades
- Universidad de Zaragoza
- Gobierno de Aragón
- Agencia Estatal de Investigación