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    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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Inverse mode of ion-surfactant method of director reorientation inside nematic droplets / M. N. Krakhalev, O. O. Prishchepa, V. Y. Zyryanov // Mol. Cryst. Liquid Cryst. - 2009. - Vol. 512, Is. 1. - P. 1998-2003, DOI 10.1080/15421400903050814. - Cited Reference Count: 8. - Гранты: This work was partially supported by the grants Nos. NSh-3818.2008.3; 02.740.11.0220, and No. 08-03-01007 of RFBR, and Nos. 27.1; 110; 144 of SB RAS. M. Krakhalev acknowledges the financial support from K. I. Zamaraev MBN Foundation. O. Prishchepa acknowledges the financial support from Russian Science Support Foundation. - Финансирующая организация: RFBR [NSh-3818.2008.3, 02.740.11.0220, 08-03-01007]; SB RAS [27.1; 110; 144]; Zamaraev MBN Foundation; Russian Science Support Foundation . - ISSN 1542-1406
Кл.слова (ненормированные):
electrically commanded surfaces -- ion surfactant -- nematic -- polymer dispersed liquid crystals -- surface anchoring -- Electrically commanded surfaces -- Ion surfactant -- Nematic -- Polymer dispersed liquid crystals -- Surface anchoring -- Applied voltages -- Crossed polarizers -- Director fields -- Director reorientation -- Droplet structure -- Electrically commanded surfaces -- High concentration -- Homeotropic -- Initial state -- Ionic modification -- Liquid-crystal droplets -- Nematic droplets -- Nematic polymer -- Surface-active cations -- Surface-anchoring -- Trimethyl -- Ammonium compounds -- Cationic surfactants -- Crystals -- Drop formation -- Dyes -- Ionization of liquids -- Ions -- Liquid crystal displays -- Liquid crystals -- Liquids -- Nematic liquid crystals
Аннотация: Inverse mode of a novel electrooptical effect caused by the ionic modification of boundary conditions has been studied for liquid crystal droplets. We have considered the droplets of nematic 5CB doped with cationic surfactant cetyl-trimethyl-ammonium-bromide and dispersed in polyvinyl alcohol. In the initial state the surface anchoring was normal on the whole interface due to the high concentration of homeotropic surfactant. Applied voltage results in the purification of a section of the interface from the surface-active cations thereby restoring here a tangential anchoring and stimulating the significant transformation of droplet structure. At that three different types of director field distribution can be realized within the same droplet. The proper textures of the droplet both in the crossed polarizers and without analyzer are considered.

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Держатели документа:
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk Sci Ctr, Krasnoyarsk, Russia
Siberian Fed Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Krakhalev, M. N.; Крахалев, Михаил Николаевич; Prishchepa, O. O.; Прищепа, Оксана Олеговна; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич
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