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1.
Structure of Barbituratobis(2,2'-Dipyridyl)copper(II)
Heptahydrate / N. N. Golovnev [et al.]> // Russ. J. Coord. Chem. - 2019. -
Vol. 45
,
Is. 8
. - P. 569-572,
DOI
10.1134/S1070328419080037. - Cited References: 25. - This work was supported by the Ministry of Education and Science of the Russian Federation in the framework of the state task for the Siberian Federal University for 2017-2019 (4.7666.2017/BCh). . - ISSN 1070-3284. - ISSN 1608-3318
РУБ
Chemistry, Inorganic & Nuclear
Рубрики:
IONIC CO-CRYSTALS
BARBITURIC
-
ACID
COMPLEXES
STATE
Кл.слова (ненормированные):
copper(II)
--
barbituric
acid
--
2,2 '-dipyridyl
--
complex
--
structure
--
properties
Аннотация:
The structure of the complex [Cu(Bipy)2(BA)] ∙ 7H2O (I), where Bipy is 2,2'-dipyridyl, and BA2– is the
barbituric
acid
anion (H2BA), is determined (CIF file CCDC no. 1887338). The thermal decomposition and IR spectrum of complex I are studied. The crystals are orthorhombic: a = 26.118(3), b = 27.685(3), c = 15.683(2) Å, V = 11 370(2) Å3, space group Fdd2, Z = 16. The discrete structure of the polar crystal consists of neutral [Cu(Bipy)2(BA)] particles and molecules of crystallisation water . The Cu2+ ion is bound to the N atoms of two bidentate Bipy molecules and the N atom of the BA2− ion at the vertices of the trigonal bipyramid CuN5. Compound I is the first example of the metal complex only with the N-coordinated anions of
barbituric
acid
(BA2−, НBA−). The structure is stabilized by hydrogen bonds O−H∙∙∙O and N−H∙∙∙O to form a three-dimensional network with the π–π interaction between the Bipy molecules. The compound begins to lose water at ~50°С and is completely dehydrated above 200°С.
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Публикация на русском языке
Структура гаптагидрата барбитурато-бис-(2,2'-дипиридил)-меди(II) [Текст] / Н. Н. Головнев [и др.] // Координ. химия. - 2019. - Т. 45 № 8. - С. 481-484
Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Kirenskii Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far East State Transport Univ, Khabarovsk, Russia.
Russian Acad Sci, Favorskii Inst Chem, Siberian Branch, Irkutsk, Russia.
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.; Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
}
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2.
Polymeric lithium(I) diaquabarbiturate:
Crystal structure / N. N. Golovnev [et al.]> // Russ. J. Inorg. Chem. - 2017. -
Vol. 62
,
Is. 6
. - P. 746-750,
DOI
10.1134/S0036023617060092. - Cited References:23. - This work was performed in the Siberian Federal University within the State task of the Ministry of Education and Science of the Russian Federation for the period of 2014-2016 (project no. 3049). . - ISSN 0036-0236. - ISSN 1531-8613
РУБ
Chemistry, Inorganic & Nuclear
Рубрики:
IONIC CO-CRYSTALS
BARBITURIC
-
ACID
COMPLEXES
NA
LI
Аннотация:
The lithium(I) catena-diaquabarbiturate complex [Li(H2O)2(HBA–O,O′)]n (I), where Н2ВА is
barbituric
acid
, has been structurally characterized by X-ray diffraction (CIF file CCDC no. 1447689), and its thermal decomposition and IR spectrum have been studied. Crystals of complex I are monoclinic, a = 6.4306(7) Å, b = 16.720(1) Å, c = 7.1732(8) Å, β = 108.253(4)°, V = 732.5(1) Å3, space group P21/c, and Z = 4. One independent μ2-bridging HBA– ligand is coordinated to two Li(I) ions via the two oxygen atoms of C4(6)=O carbonyl groups. Each Li+ ion is linked with two μ2-HBA– ions and two terminal water molecules at tetrahedron vertices. μ2-HBA– ions link tetrahedra into a chain. The structure is stabilized by multiple hydrogen bonds and π–π-interaction between HBA–. The shift of ν(C=O) vibration bands in the IR spectrum of complex I in comparison with Н2ВА towards lower frequencies agrees with the coordination of HBA– via oxygen atoms. The dehydration of complex I occurs in two stages in the regions of 100–150 and 150–240°C.
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Публикация на русском языке
Кристаллическая структура полимерного диаквабарбитурата лития(I) [Текст] / Н. Н. Головнев [и др.] // Журн. неорг. химии : Наука, 2017. - Т. 62 № 6. - С. 761-765
Держатели документа:
Siberian Fed Univ, Svobodnyi Pr 79, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Akademgorodok 50-38, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Ul Serysheva 47, Khabarovsk 680021, Russia.
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Akademgorodok 50-24, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Vereshchagin, S. N.; Ministry of Education and Science of the Russian Federation [3049]
}
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3.
New class of
bicyclic compounds derived from thiobarbituric
acid
with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl-2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy / N. N. Golovnev [et al.]> // J. Mol. Struct. - 2015. -
Vol. 1102
. - P. 101-107,
DOI
10.1016/j.molstruc.2015.08.046. - Cited References: 40. - The work was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015 (Contract 3049). V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation (Contract 14.607.21.0106). The authors also thank SFU CEJU for the technical support . - ISSN 0022-2860
Перевод заглавия:
Новый класс бициклических соединений полученных из тиобарбитуровой кислоты с представителем 1,3-диэтил-7-гидрокси-5,5,7-триметил-2-тиоксо-1,2,3,5,6,7-гексагидро-4H-пирано[2,3-d]пиримидин-4-он. Синтез, кристаллическая структура, масс спектроскопия и ИК спектроскопия
Рубрики:
1,3-diethyl-2-thiobarbituric
acid
Crystal-structure
2-thiobarbituric
acid
Barbituric
-
acid
Hydrogen-bond
Derivatives
Diffraction
Equilibria
Inhibitors
Series
Кл.слова (ненормированные):
Bicyclic compounds
--
Thiobarbiturates
--
Heterocycles
--
X-ray diffraction
--
IR spectroscopy
--
Theoretical calculations
Аннотация:
The colorless crystals of 1,3-diethyl-7-hydroxy-5,5,7-trimethyl-2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one (1) have been crystallized from the solution containing 1,3-diethyl-2-thiobarbituric
acid
(HDETBA) and equal volumes of concentrated HCl and acetone A possible stoichiometric reaction mechanism has been suggested. The crystal structure of 1 has been determined by X-ray single crystal analysis. The phase purity of the precipitate has been verified by powder X-ray diffraction analysis. Compound 1 crystallizes in the orthorhombic structure, space group P212121, with cell parameters a = 9.7454(4), b = 11.2225(4), c = 13.9171(5) Å, Z = 4, V = 1522.1(1) Å3. The molecules of 1 contain the bicyclic ring constructions new in thiobarbiturates. The molecules of 1 are linked by O-H...O hydrogen bonds to infinite molecule chains. The results of mass spectrometric analysis, theoretical studies and IR spectroscopy confirm the structure of 1. Using the PASS software, the general pharmacological potential of 1 was analyzed.
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Держатели документа:
Siberian Federal University, Svobodny Aven. 79, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, SB RAS, Bld. 38, Akademgorodok 50, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, 47 Serysheva Str., Khabarovsk, Russian Federation
Laboratory of Physical Chemistry, Irkutsk Favorsky Institute of Chemistry, SB RAS, 1 Favorsky, Irkutsk, Russian Federation
Laboratory of Optical Materials and Structures, SB RAS, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor, Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation
Institute of Thermophysics, 1 Lavrentiev Aven., Novosibirsk, Russian Federation
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Goryunov, Y. V.; Atuchin, V. V.
}
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