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Structure‐forming units of amino acid maleates. Case study of l ‐valinium hydrogen maleate
Author(s) -
Rychkov Denis,
Arkhipov Sergey,
Boldyreva Elena
Publication year - 2016
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520615021022
Subject(s) - maleic acid , crystallography , powder diffraction , hydrogen bond , crystal structure , chemistry , diffraction , salt (chemistry) , materials science , molecule , organic chemistry , polymer , physics , optics , copolymer
A new salt of l ‐valinium hydrogen maleate was used as an example to study structure‐forming units in amino acid maleates. This compound was crystallized, its structure solved from single‐crystal X‐ray diffraction data, and the phase purity of the bulk powder sample confirmed by X‐ray powder diffraction and FT–IR spectra. The stability of the new salt was analyzed using density functional theory and PIXEL calculations with focus on the C 2 2 (12) structure‐forming crystallographic motif. This motif was of particular interest as it is common for almost all maleates. The exceptionally high ability of maleic acid to form salts with various amino acids was rationalized.