Regarding configuration and hydrogen atom placement in “Development of new L-Serine Squarate single crystal” [Tyagi et al., J. Mol. Struct. 1224 (2021) 129190]

•The crystal structure of L-serinium hydrogensquarate (CSD refcode: HUQNIT), published in this journal very recently is revised.•Problems are due to assignment of the absolute configuration and placement of disordered hydrogen atoms.•HUQNIT actually represents the CSD entry PAZCUO, published more th...

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Bibliographic Details
Published in:Journal of molecular structure 2021-04, Vol.1229, p.129590, Article 129590
Main Author: Seidel, Rüdiger W.
Format: Article
Language:English
Subjects:
Absolute configuration
Amino acids
Crystal structure
Hydrogen atom positions
Hydrogen bonding
Squaric acid
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Summary:•The crystal structure of L-serinium hydrogensquarate (CSD refcode: HUQNIT), published in this journal very recently is revised.•Problems are due to assignment of the absolute configuration and placement of disordered hydrogen atoms.•HUQNIT actually represents the CSD entry PAZCUO, published more than 20 years ago. The crystal structure of L-serinium hydrogensquarate (CSD refcode: HUQNIT), published in this journal very recently [Tyagi et al., J. Mol. Struct. 1224 (2021) 129190], is revised. Problems arise from the assignment of the absolute configuration of the serinium cation and the positioning of disordered hydrogen atoms of the hydrogensquarate anion. The correct structure of L-serinium hydrogensquarate was published more than 20 years ago [CSD refcode: PAZCUO; Kolev et al., Z. Kristallogr. NCS 213 (1998) 169-170].
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2020.129590