Crystal Structure and Properties of Levofloxacinium 2-Thiobarbiturate Trihydrate : сборник научных трудов


Тип публикации: статья из журнала

Год издания: 2018

Идентификатор DOI: 10.1134/S0022476618030204

Ключевые слова: levofloxacin, 2-thiobarbituric acid, salt, crystal structure, absolute structure, thermal stability, IR spectrum

Аннотация: The structure of levofloxacinium 2-thiobarbiturate trihydrate LevoH (2) (+) Htba(-)center dot 3H(2)O (I) (LevoH is levofloxacin, H(2)tba 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) , b = 9.605(1) , c = 15.78Показать полностью6(2) , alpha = 89.144(5)A degrees, beta = 88.279(5)A degrees, gamma = 76.068(5)A degrees, V = 1275.4(3) (3), 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 center dot center dot center dot O and O-H center dot center dot center dot 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 pi-pi interaction between the Htba-and LevoH (2) (+) ions and between the LevoH (2) (+) ions.

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Выпуск журнала: Vol. 59, Is. 3

Номера страниц: 646-651

ISSN журнала: 00224766

Место издания: MOSCOW



  • Golovnev N.N. (Siberian Fed Univ, Krasnoyarsk, Russia)
  • Molokeev M.S. (Siberian Fed Univ, Krasnoyarsk, Russia; Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia; Far Eastern State Transport Univ, Khabarovsk, Russia)
  • Lesnikov M.K. (Siberian Fed Univ, Krasnoyarsk, Russia)

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