Salts containing different amino acids: Salts with β-alaninium L-proline dimeric cation

•New crystals in the class of amino acids salts containing different amino acids are reported•Six salts of the type (β-AlaH···l-Pro)X, where X = Cl, Br, I, BF4, ClO4, NO3 are reported•Crystal structures and infrared spectra of all salts are reported and discussed•O···O distances in (β-AlaH···l-Pro)...

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Veröffentlicht in:Journal of molecular structure 2022-03, Vol.1252, p.132171, Article 132171
Hauptverfasser: Tonoyan, G.S., Giester, G., Petrosyan, A.M.
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Sprache:eng
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Zusammenfassung:•New crystals in the class of amino acids salts containing different amino acids are reported•Six salts of the type (β-AlaH···l-Pro)X, where X = Cl, Br, I, BF4, ClO4, NO3 are reported•Crystal structures and infrared spectra of all salts are reported and discussed•O···O distances in (β-AlaH···l-Pro) are longer compared to (β-AlaH···β-Ala) and (l-ProH···l-Pro) Recently we have discovered a new class of amino acids salts containing different amino acids. In the present paper we report crystal structures of salts with the β-alaninium L-proline dimeric cation: β-alaninium L-proline chloride, (β-AlaH⋅⋅⋅l-Pro)Cl (I), β-alaninium L-proline bromide, (β-AlaH⋅⋅⋅l-Pro)Br (II), β-alaninium L-proline iodide, (β-AlaH⋅⋅⋅l-Pro)I (III), β-alaninium L-proline tetrafluoroborate, (β-AlaH⋅⋅⋅l-Pro)BF4 (IV), β-alaninium L-proline perchlorate, (β-AlaH⋅⋅⋅l-Pro)ClO4 (V) and β-alaninium L-proline nitrate, (β-AlaH⋅⋅⋅l-Pro)NO3 (VI). The salts (I–III) are isostructural and crystallize in the polar space group P21 with one formula unit in the asymmetric unit. The salts (IV-VI) crystallize in space group P212121 with two (isotypic compounds (IV) and (V)) resp. one (VI) formula units in the asymmetric unit. The O⋅⋅⋅O distances in the dimeric cations are 2.490(5) Å (I), 2.5001(19) Å (II), 2.529(3) Å (III) and 2.556(4), 2.581(4) Å (IV), 2.566(5), 2.570(5) Å (V) and 2.561(2) Å (VI). These values are compared with those in salts with dimeric cations (β-AlaH⋅⋅⋅β-Ala) and (l-ProH⋅⋅⋅l-Pro) with respective anions. Infrared spectra of obtained salts were registered and are discussed. [Display omitted]
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2021.132171