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    Synthesis and molecular structure of cobalt(II) complex with 1-(1-silatranylmethyl)-1,2,4-triazole / A. D. Vasiliev [et al.] // Struct. Chem. - 2013. - Vol. 24, Is. 4. - P. 1001-1005, DOI 10.1007/s11224-012-0121-0. - Cited References: 24 . - ISSN 1040-0400
   Перевод заглавия: Синтез и молекулярная структура комплекса кобальта(II) с 1-(1-силатранилметил)-1,2,4-триазолом

РУБ Chemistry, Multidisciplinary + Chemistry, Physical + Crystallography
Рубрики:
REACTIVITY
   DERIVATIVES
   CRYSTAL
   SPECTRA
Кл.слова (ненормированные):
Complexes -- 1-(1-Silatranylmethyl)-1,2,4-triazole -- Cobalt dichloride -- X-ray diffraction
Аннотация: Reaction of cobalt chloride with 1-(1-silatranylmethyl)-1,2,4-triazole in benzene afforded complex CoCl2 center dot 2L (L = 1-(1-silatranylmethyl)-1,2,4-triazole). It was isolated as the solvate [CoCl2 center dot 2L]center dot CH2Cl2 (1) by recrystallization from dichloromethane and structurally characterized by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P2(1)/m with a = 6.798(2) E, b = 20.326(5) E, c = 11.005(3) E, and Z = 4. The cobalt atom is in slightly distorted square-planar environment, coordinated to two nitrogen atoms from two ligands and two chloride ions.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
East Siberian State Academician Educ, Irkutsk 664011, Russia
Russian Acad Sci, Siberian Branch, AE Favorsky Irkutsk Inst Chem, Irkutsk 664033, Russia

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Zel'bst, E. A.; Soldatenko, A. S.; Bolgova, Yu.I.; Trofimova, O. M.; Voronkov, M. G.
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    The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization / N. N. Golovnev [et al.] // J. Mol. Struct. - 2014. - Vol. 1068. - P. 216-221, DOI 10.1016/j.molstruc.2014.04.024. - Cited References: 30. - V.V.A. is grateful to the Ministry of Education and Science of Russian Federation for the financial support of the investigation. . - ISSN 0022-2860. - ISSN 1872-8014
   Перевод заглавия: 5-(изопропилиден)-2-тиобарбитуровая кислота: Синтез, кристаллическая структура, термическая стабильность и ИК характеризация

РУБ Chemistry, Physical
Рубрики:
2-THIOBARBITURIC ACID
COMPLEXES
DERIVATIVES
Кл.слова (ненормированные):
5-(Isopropylidene)-2-thiobarbituric acid -- Synthesis -- Thiobarbituric acid -- X-ray diffraction -- Infrared spectroscopy -- Thermography
Аннотация: 5-(Isopropylidene)-2-thiobarbituric acid (1), C7H8N2O2S, has been crystallized by reacting 2-thiobarbituric acid with excessing acetone for 5–6 days under ambient conditions. The pale yellow crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compound crystallizes in the monoclinic system with a = 8.8268(19) Å, b = 12.044(3) Å, c = 8.0998(19) Å, β = 105.388(6)°, Z = 4, V = 830.2(3) Å3, space group P21/c. The geometric parameters of the heterocycle of the molecule 1 are similar to those found previously for the molecule of thionedicarbonyl tautomer in polymorphic modifications of 2-thiobarbituric acid. Infrared spectroscopy also evidences the thionedicarbonyl structure of the 1 heterocyclic ring. Intermolecular NH⋯O hydrogen bonds join the molecules in the chains along b axis. The 1 compound is thermally stable up to 230.0 °С and melts with decomposition at 261.4 °C. The results of mass spectrometric analysis are consistent with the structural parameters found by X-ray diffraction methods.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Krasnoyarsk Sci Ctr SD RAS, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Tarasova, L. S.; Atuchin, V. V.; Vladimirova, N. I.
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Neutral pentacoordinate silicon complexes with SiO2FC skeleton:. Synthesis, structural characterization and stereodynamical behavior / M. G. Voronkov [et al.] // J. Organomet. Chem. - 2014. - Vol. 768. - P. 10-14, DOI 10.1016/j.jorganchem.2014.05.025. - Cited References: 31. - We thank the Found of President of Russian Federation (Science Schools' Grant - 3649.2014.3) and Russian Foundation for Basic Research (No. 14-03-31381 \14) for financial support. We thank Prof. Bagrat Shainyan (Irkutsk Institute of Chemistry) for calculation SUP19/SUPF NMR spectra and helpful discussion and Dr. Svetlana Kirpichenko (Irkutsk Institute of Chemistry) for all the help rendered. . - ISSN 0022-328X. - ISSN 1872-8561

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
1,3-DIOXA-6-AZA-2-SILACYCLOOCTANES
   DIETHANOLAMINES
   DERIVATIVES
   SILATRANES
   REACTIVITY
   NITROGEN
   ELEMENTS
Кл.слова (ненормированные):
Pentacoordinate silicon -- 1-Fluoro-1-aryl-5-methylquasisilatranes -- Synthesis -- X-ray diffraction
Аннотация: A series of new pentacoordinate intramolecular organosilicon complexes F(Ar)Si(OCH2CH2)2NMe (Ar = 4-MeC6H4 (1), 4-MeOC6H4 (2), 4-ClC6H4 (3), 2-BrC6H4 (4), 3-NO2C6H4 (5)) has been synthesized by transsilylation of aryltrifluorosilanes ArSiF3 by N-methyl-bis(2-trimethylsiloxyethyl)amine. Compounds 1–5 have been fully characterized by 1H, 13C, 19F, 29Si NMR spectroscopy and X-ray diffraction analysis (for compound 3). Variable-temperature 19F NMR studies of 5 indicate stereodynamic process of the ligand exchange with activation barrier Δ G c ≠ of 13.1 kcal mol−1.

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Держатели документа:
Russian Acad Sci, Siberian Branch, AE Favorsky Irkutsk Inst Chem, Irkutsk 664033, Russia
East Siberian State Acad Educ, Irkutsk 664011, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Voronkov, M. G.; Воронков, Михаил Григорьевич; Grebneva, E. A.; Albanov, A. I.; Zel'bst, E. A.; Зельбст, Элеонора Абрамовна; Trofimova, O. M.; Трофимова, Ольга Михайловна; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Chernov, N. F.; Timofeeva, E. N.; Found of President of Russian Federation [3649.2014.3]; Russian Foundation for Basic Research [14-03-31381 \14]
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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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A simple method for the preparation of 3,5-dinitrimino-1,2,4-triazole and its salts / A. M. Astakhov [et al.] // Chem. Heterocycl. Compds. - 2017. - Vol. 53, Is. 6-7. - P. 722-727, DOI 10.1007/s10593-017-2116-7. - Cited References:33 . - ISSN 0009-3122. - ISSN 1573-8353

РУБ Chemistry, Organic
Рубрики:
ENERGETIC MATERIALS
DERIVATIVES
2-NITROGUANIDINE
Кл.слова (ненормированные):
3,5-dinitramino-1,2,4-triazole -- 3,5-dinitrimino-1,2,4-triazole -- 1,2,4-triazoles -- energetic compounds -- nitramines -- nitrimines -- nucleophilic substitution
Аннотация: The reaction of 2-methyl-1-nitrD 3/4 isothiourea with hydrazine in the presence of alkali metal bicarbonates (carbonates) resulted in the formation of 3,5-dinitrimino-1,2,4-triazole salts. The same salts were also formed by a reaction of 2-methyl-1-nitrD 3/4 isothiourea with alkali metal salts of 4-nitrD 3/4 semicarbazide. This represents the first synthesis and characterization of the high-energy 3,5-dinitrimino-1,2,4-triazole, which can be readily isolated by treatment of its disodium salt with HCl.

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Держатели документа:
Reshetnev Siberian State Univ Sci & Technol, 31 Krasnoyarsky Rabochy Ave, Krasnoyarsk 660037, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Akademgorodok 50,Bldg 38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Ave, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Astakhov, A. M.; Antishin, D. V.; Revenko, V. A.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Buka, E. S.
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    Chemistry of vinylidene complexes [Text] / A. B. Antonova [et al.] // Russ. Chem. Bull. - 2009. - Vol. 58, Is. 5. - P955-963, DOI 10.1007/s11172-009-0122-3. - Cited Reference Count: 35. - Гранты: This work was financially supported by the Krasnoyarsk Regional Science Foundation (Grants Nos. 10TS145 and 17G002), the Council on Grants at the President of the Russian Federation (Program for State Support of Leading Scientific Schools, Grant NSh-4137.2006.2), and the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 18.18). - Финансирующая организация: Krasnoyarsk Regional Science Foundation [10TS145, 17G002]; Council on Grants at the President of the Russian Federation [NSh-4137.2006.2]; Presidium of the Russian Academy of Sciences [18.18] . - MAY. - ISSN 1066-5285
Рубрики:
RAY CRYSTAL-STRUCTURE
   MOLECULAR-STRUCTURE
   PHENYLVINYLIDENE LIGANDS
   BRIDGED COMPLEXES
   TRANSITION-METALS
   CARBONYL LIGAND
   BINUCLEAR
   DERIVATIVES
   DINUCLEAR
   RHENIUM
Кл.слова (ненормированные):
vinylidene complexes -- heterometallic complexes -- manganese -- rhenium -- palladium -- platinum -- IR and NMR spectroscopy -- X-ray diffraction study -- Heterometallic complexes -- IR and NMR spectroscopy -- Manganese -- Palladium -- Platinum -- Rhenium -- Vinylidene complexes -- X-ray diffraction study
Аннотация: The reactions of Cp(CO)(2)Re=C=CHPh (2) with M(PPh(3))(4) (M = Pd, Pt) gave the mu-vinylidene complexes Cp(CO)(2)RePd(mu-C=CHPh)(PPh(3))(2) (3) and Cp(CO)(2)RePt(mu-C=CHPh)(PPh(3))(2) (1), respectively. The substitution of Ph(2)PCH(2)PPh(2) (dppm) for the PPh(3) ligands in 1 resulted in the formation of Cp(CO)RePt(mu-C(1)=C(2)HPh)(mu-CO)(dppm) (4). The structure of complex 4 has been determined by single-crystal X-ray diffraction analysis. The structural and spectroscopic characteristics of complexes 1, 3, and 4 were compared with the corresponding parameters of the manganese-containing analogs Cp(CO)(2)MnPd(mu-C=CHPh)(PPh(3))(2) (5), Cp(CO)(2)MnPt(mu-C=CHPh)(PPh(3))(2) (6) and Cp(CO)(2)MnPt(mu-C=CHPh)(dppm) (7).

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia

Доп.точки доступа:
Antonova, A.B.; Chudin, O.S.; Pavlenko, N.I.; Sokolenko, W.A.; Rubaylo, A.I.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Verpekin, V.V.; Semeikin, O.V.
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