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l-Cysteine Oxalates with Dimeric and Trimeric Cations Full article

Journal

Журнал структурной химии
ISSN: 0136-7463

Output data

Year: 2024, Volume: 65, Number: 10, Article number : 134330, Pages count : DOI: 10.26902/jsc_id134330

Tags

Salts of L-cysteine; Oxalates; Crystal structure; Very strong hydrogen bonds; Dimeric cations, Trimeric cations

Authors

Ghazaryan V.V. ¹ , Giester G. ² , Minkov V.S. ³ , Boldyreva E.V. ⁴ , Petrosyan A.M. ¹

Affiliations

1	Institute of Applied Problems of Physics, NAS of Armenia, Yerevan, Armenia
2	Institute of Mineralogy and Crystallography, University of Vienna, Vienna, Austria
3	Max-Planck-Institut für Chemie, Mainz, Germany
4	Novosibirsk State University, Novosibirsk, Russia

Single crystals of two new compounds, (l-CysH···l-Cys)(HC2O4) (I) and (l-CysH···l-Cys···l-CysH)(HC2O4)2·0.5H2O (II), were obtained. Crystal structures were solved and refined using single-crystal X-ray diffraction, and compared with the previously known orthorhombic and monoclinic modifications of the simple salt (l-CysH)(HC2O4). Compound (I) crystallizes in the triclinic crystal system (space group P1, Z=2) and contains (l-CysH···l-Cys) dimeric cations with very short O···O interatomic distance of 2.434(2) Å. Hydrogen oxalate anions form head-to-tail type chains with very short hydrogen bonds, characterized by O···O distances of 2.422(2) Å and 2.417(3) Å. The crystal lattice of (II) is monoclinic with the space group C2, Z=4. It contains a new type of cation, that has never been observed before for cysteine salts, i.e. trimeric (l-CysH···l-Cys···l-CysH) cation. Protonated l-cysteinium cations are connected to the zwitterionic l-cysteine moiety through the same oxygen atom of the carboxylate group via hydrogen bonds, with O···O distances of 2.6410(18) Å and 2.4888(19) Å. Similar to the structure (I), the hydrogen oxalate anions form head-to-tail type chains linked by short hydrogen bonds with O···O distances of 2.4369(17) Å and 2.4330(17) Å, respectively. The crystals were characterized by IR and Raman spectroscopy. The batches obtained on crystallization were also characterized by X-ray powder diffraction, in order to check the phase purity of all the sample

Ghazaryan V.V. , Giester G. , Minkov V.S. , Boldyreva E.V. , Petrosyan A.M.
l-Cysteine Oxalates with Dimeric and Trimeric Cations
Журнал структурной химии. 2024. V.65. N10. 134330 . DOI: 10.26902/jsc_id134330 РИНЦ OpenAlex

Ghazaryan V.V. , Giester G. , Minkov V.S. , Boldyreva E.V. , Petrosyan. A.M.
L-Cysteine Oxalates with Dimeric and Trimeric Cations
Journal of Structural Chemistry. 2024. V.65. N10. P.2088–2100. DOI: 10.1134/S0022476624100172 WOS Scopus РИНЦ OpenAlex

Submitted:	Apr 6, 2024
Accepted:	Jun 18, 2024

Elibrary:	73881825
OpenAlex:	W4399821625

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