Structure-Forming Units of Amino Acid Maleates. Case Study of L-valinium Hydrogen Maleate Full article
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Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
ISSN: 2052-5192 , E-ISSN: 2052-5206 |
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| Output data | Year: 2016, Volume: 72, Number: 1, Pages: 160-163 Pages count : 4 DOI: 10.1107/s2052520615021022 | ||||
| Tags | amino acid maleates, DFT, l-valinium hydrogen maleate, PIXEL calculations, structure-forming unit | ||||
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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 C22(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.A new salt of l-valinium hydrogen maleate was used as an example to study structure-forming units in amino acid maleates. Model calculations have shown the C22(12) motif (common for most maleates) to be crucial for the thermodynamic stability of the structure.
Cite:
Rychkov D.
, Arkhipov S.
, Boldyreva E.
Structure-Forming Units of Amino Acid Maleates. Case Study of L-valinium Hydrogen Maleate
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2016. V.72. N1. P.160-163. DOI: 10.1107/s2052520615021022 WOS Scopus РИНЦ ANCAN OpenAlex
Structure-Forming Units of Amino Acid Maleates. Case Study of L-valinium Hydrogen Maleate
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2016. V.72. N1. P.160-163. DOI: 10.1107/s2052520615021022 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | Jul 30, 2015 |
| Accepted: | Nov 5, 2015 |
| Published online: | Jan 30, 2016 |
| Published print: | Feb 1, 2016 |
Identifiers:
| Web of science: | WOS:000369393100018 |
| Scopus: | 2-s2.0-84957619615 |
| Elibrary: | 26955321 |
| Chemical Abstracts: | 2016:187564 |
| Chemical Abstracts (print): | 169:396214 |
| OpenAlex: | W2424250143 |