Труды сотрудников института физики

/ N. N. Golovnev, M. S. Molokeev, M. K. Lesnikov // J. Struct. Chem. - 2018. - Vol. 59, Is. 3. - P. 646-651, DOI 10.1134/S0022476618030204. - Cited References: 20. - The work was performed within the State Task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University for 2017-2019 (4.7666.2017/BCh). . - ISSN 0022-4766. - ISSN 1573-8779РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

Аннотация: The structure of levofloxacinium 2-thiobarbiturate trihydrate LevoH 2 + Htba–·3H2O (I) (LevoH is levofloxacin, H2tba is 2-thiobarbituric acid) is determined (CIF file CCDC No. 1547466); its thermal decomposition and IR spectrum are studied. The crystals of I are triclinic: a = 8.670(1) Å, b = 9.605(1) Å, c = 15.786(2) Å, α = 89.144(5)°, β = 88.279(5)°, γ = 76.068(5)°, V = 1275.4(3) Å3, space group P1, Z = 2. The unit cell of I contains two LevoH 2 + ions, two Htba– ions, and six H2O molecules. The absolute structure of the crystal and the configuration of the chiral center in a levofloxacin molecule S are determined. Experiments for generating the second optical harmonics gave a positive result. Intermolecular hydrogen bonds (HBs) N–H···O and O–H···O in I form a bilayer system along the ab diagonal with hydrophilic moieties within a layer and hydrophobic moieties directed outward. The structure is stabilized by multiple HBs and the π–π interaction between the Htba–and LevoH 2 + ions and between the LevoH 2 + ions.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Khabarovsk, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]