title: Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.
abstract: 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.
authors.affiliation: Institute of Solid State Chemistry and Mechanochemistry SB RAS, Kutateladze 18, Novosibirsk 630090, Russian Federation.
authors.forename: Denis
authors.initials: D
authors.lastname: Rychkov
authors.affiliation: Institute of Solid State Chemistry and Mechanochemistry SB RAS, Kutateladze 18, Novosibirsk 630090, Russian Federation.
authors.forename: Sergey
authors.initials: S
authors.lastname: Arkhipov
authors.affiliation: Institute of Solid State Chemistry and Mechanochemistry SB RAS, Kutateladze 18, Novosibirsk 630090, Russian Federation.
authors.forename: Elena
authors.initials: E
authors.lastname: Boldyreva
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D006860:Hydrogen Bonding; D008298:Maleates / Q000737:chemistry*; D015394:Molecular Structure; D017550:Spectroscopy, Fourier Transform Infrared; D014961:X-Ray Diffraction
chemical_list: D000596:Amino Acids; D008298:Maleates; C030272:maleic acid
keywords: DFT; PIXEL calculations; amino acid maleates; l-valinium hydrogen maleate; structure-forming unit