Novel 1,3-diethyl-2-thiobarbiturates of 2,2′-bipyridine and 1,10-phenanthroline: Synthesis, crystal structure and thermal stability


Тип публикации: статья из журнала

Год издания: 2018

Идентификатор DOI: 10.1016/j.molstruc.2018.06.035

Ключевые слова: 1,10-Phenanthroline, 1,3-Diethyl-2-thiobarbituric acid, 2,2′-bipyridine, Infrared spectroscopy, Salt, Salt co-crystal, Thermal stability, X-ray diffraction

Аннотация: Co-crystallization of 1,3-diethyl-2-thiobarbituric acid (HDetba) with 2,2′-bipyridine (Bipy) and 1,10-phenanthroline (Phen) results in preparing a salt co-crystal, BipyH(Detba)(HDetba) (1), and the salt, PhenH(Detba)·H2O (2). The compounds are characterized by single–crystal and powder X–ray diffraction and TG-DSC. The nitrogen atoПоказать полностьюms of BipyH+ adopt a cis conformation and the N–C–C–N torsion angle is −17.3(1)º. There are six intermolecular hydrogen bonds O–H⋯O, N–H⋯O, C–H⋯O and C–H⋯S in (1) which form a 2D plane network. One Detba– ion and one HDetba molecule form a pair by means of O–H⋯O hydrogen bonds. Detba− anions in (2) do not form dimers, they are connected by N–H⋯O, C–H⋯S, and C–H⋯O hydrogen bonds only with PhenH+ cations and water molecules which form a 3D net. Different π−π interactions between the rings are found in (1)−(2). © 2018 Elsevier B.V.

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Журнал: Journal of Molecular Structure

Выпуск журнала: Vol. 1171

Номера страниц: 488-494

ISSN журнала: 00222860

Издатель: Elsevier B.V.


  • Golovnev Nicolay N. (Siberian Fed Univ, 79 Svobodny Ave, Krasnoyarsk 660041, Russia)
  • Molokeev Maxim S. (Siberian Fed Univ, 79 Svobodny Ave, Krasnoyarsk 660041, Russia; Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Bld 38 Akademgorodok 50, Krasnoyarsk 660036, Russia; Far Eastern State Transport Univ, Dept Phys, 47 Seryshev Str, Khabarovsk 680021, Russia)
  • Sterkhova Irina V. (Russian Acad Sci, Siberian Branch, Favorsky Inst Chem, 1 Favorsky, Irkutsk 664033, Russia)
  • Lesnikov Maxim K. (Siberian Fed Univ, 79 Svobodny Ave, Krasnoyarsk 660041, Russia)