Acta Crystallogr E Crystallogr Commun
Department of Chemistry, North Central College, 131 S. Loomis St., Naperville IL 60540, USA.
Published: May 2021
The crystal structure of dilithium potassium citrate monohydrate, Li·2K·CHO ·HO or LiKCHO·HO, has been solved by direct methods and refined against laboratory X-ray powder diffraction data, and optimized using density functional techniques. The complete citrate trianion is generated by a crystallographic mirror plane, with two C and three O atoms lying on the reflecting plane, and chelates to three different K cations. The KO and LiO coordination polyhedra share edges and corners to form layers lying parallel to the plane. An intra-molecular O-H⋯O hydrogen bond occurs between the hydroxyl group and the central carboxyl-ate group of the citrate anion as well as a charge-assisted inter-molecular O-H⋯O link between the water mol-ecule and the terminal carboxyl-ate group. There is also a weak C-H⋯O hydrogen bond.
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Source |
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100261 | PMC |
http://dx.doi.org/10.1107/S2056989021003339 | DOI Listing |
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