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L-Cysteine Oxalates with Dimeric and Trimeric Cations Научная публикация

Журнал

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Вых. Данные

Год: 2024, Том: 65, Номер: 10, Страницы: 2088–2100 Страниц : 13 DOI: 10.1134/S0022476624100172

Ключевые слова

salts of L-cysteine; oxalates; crystal structure; very strong hydrogen bonds; dimeric cations; trimeric cations.

Авторы

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

Организации

1	Institute of Applied Problems of Physics, National Academy of Sciences 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
Journal of Structural Chemistry. 2024. V.65. N10. P.2088–2100. DOI: 10.1134/S0022476624100172 WOS Scopus РИНЦ OpenAlex

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

Поступила в редакцию:	6 апр. 2024 г.
Принята к публикации:	18 июн. 2024 г.
Опубликована в печати:	1 окт. 2024 г.
Опубликована online:	11 нояб. 2024 г.

Web of science:	WOS:001352837600004
Scopus:	2-s2.0-85209823761
РИНЦ:	74529457
OpenAlex:	W4404223910

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