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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereschagin S. N., Atuchin V. V.
Заглавие : 2-Thiobarbiturate complexes of Ca(II): synthesis, crystal structure and thermal properties
Коллективы : International Conference on the Advancement of Materials and Nanotechnology (3; 2013 ; Nov. ; 19-22; Penang, Malaysia)
Место публикации : 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013): Programme and abstracts book. - 2013. - P.157
Ключевые слова (''Своб.индексиров.''): calcium--2-thiobarbituric acid--crystal structure--thermal decomposition--ir spectroscopy
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Solovyov L. A., Golovnev N. N., Molokeev M. S., Lesnikov M. K.
Заглавие : Bis(μ3-barbiturato−O,O,O′)-(μ2-aqua)- aqua-barium(II): crystal structure, spectroscopic and thermal properties
Место публикации : J. Coord. Chem.: Taylor & Francis, 2017. - Vol. 70, Is. 12. - P.1984-1993. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2017.1319943
Примечания : Cited References: 21
Ключевые слова (''Своб.индексиров.''): barbituric acid--barium--coordination compound--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: A polymeric coordination compound, [Ba(H2O) 2(Hba)2] (1) (H2ba – barbituric acid, C4H4N2O3), was obtained. The structure of 1 was solved using powder X-ray diffraction methods. The Ba2+ ion in 1 formed a three-capped trigonal prism. The BaO9 polyhedra, connected with each other by the edges and faces, formed a chain. Several 4- and 12-membered cycles due to the bridging μ2-H2O and bridging μ3-Hba– also formed implementing a 3-D polymer structure. The structures of 1 and other thiobarbiturate complexes were compared. The replacement of a S atom by an O atom in the heterocyclic ligand Htba− (thiobarbiturate ion) of the compound Ba(H2O)2(Htba)2 resulted in changes of the coordination number Ba(II) and supramolecular structure. The intermolecular hydrogen bonds O–H⋯O and N–H⋯O formed a 3-D net where pronounced 2-D layers of Hba– ions could be found. A new topological net in 1 was observed. The IR and thermal stability were investigated.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V.
Заглавие : Calcium and strontium thiobarbiturates with discrete and polymeric structures
Место публикации : J. Coordinat. Chem.: Taylor & Francis, 2013. - Vol. 66. No. 23. - P.4119–4130. - ISSN 4119-4130, DOI 10.1080/00958972.2013.860450
Ключевые слова (''Своб.индексиров.''): calcium--2-thiobarbituric acid ir--crystal structure--thermal decomposition--strontium--ir spectroscopy
Аннотация: Three new alkaline earth metal complexes, [Ca2(H2O)8(μ2-HTBA-O,O′)2(HTBA-O)2] (1), [Ca(H2O)5(HTBA-O)2]·2H2O (2), and [Sr(H2O)4(μ2-HTBA-O,S)2]n (3) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), were synthesized and characterized by FT-IR spectroscopy, TG-DSC, and single-crystal and powder X-ray diffraction analysis. The single-crystal X-ray diffraction data revealed that 1 and 2 are discrete structures, whereas 3 is a polymer. In 1 and 2, Ca2+ is seven-coordinate and forms a monocapped trigonal prism. In 1, the prisms are pairwise connected with the assistance of two [μ2-HTBA-O,O′]− ligands. In 3, Sr2+ is coordinated by four monodentate HTBA− via S or O donors and four waters, with the formation of a distorted square antiprism. The antiprisms are connected by μ2-O,S bridging HTBA−. Hydrogen bonding involving coordinated water and π–π interactions plays an important role in construction of the supramolecular 3-D structures in 1–3. Infrared spectroscopic data supported the structural data. The thermal stability of 1–3 decreases in the order 1 2 3. Dehydration of 1–3 was a multi-step process, followed by exothermic oxidative degradation of the 2-thiobarbiturate moiety between 290 and 800 °C.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K., Atuchin V. V.
Заглавие : Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability
Место публикации : Polyhedron: Elsevier, 2017. - Vol. 134. - P.120-125. - ISSN 02775387 (ISSN), DOI 10.1016/j.poly.2017.06.002
Примечания : Cited References: 25
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--complexes--x-ray diffraction--infrared spectroscopy--manganese(ii)
Аннотация: Three new complexes of 1,3-diethyl-thiobarbituric acid (HDetba), barbiturate-bridged 2D Mn(II) polymer [Mn(H2O)2(Detba)2] (1), trinuclear [Mn3(H2O)10(Detba)6] (2) and discrete molecular [Mn(H2O)4(Detba)2]·H2O (3) are synthesized and structurally characterized by the X-ray single crystal technique. In 1–3, the Detba− ions are coordinated to Mn(II) only through O atoms with manganese ions in the octahedral environment. In 1, the Mn(II) ion is coordinated by four μ2 bridge Detba− ions and two terminal H2O molecules. In 2, the Mn1 ion is coordinated by three terminal H2O molecules, two terminal and one μ2 bridge Detba− ion, and Mn2 is connected with two μ2-Detba− ions and four H2O molecules. In 3, the Mn(II) ion is coordinated by two terminal Detba− ions and four terminal H2O molecules. There are intermolecular hydrogen bonds O–H⋯O, O–H⋯S in the structures of 1–3 which form the 3D networks. Structure 2 is stabilized by the π–π interaction. The compounds thermal decomposition comprises dehydration steps and the organic ligand oxidation.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Vereshchagin S. N., Golovneva I. I.
Заглавие : Crystal structure and properties of polymeric hexaaqua-hexakis-(2-thiobarbiturato)-disamarium(III)
Место публикации : J. Struct. Chem. - 2017. - Vol. 58, Is. 3. - P.539-543. - ISSN 00224766 (ISSN), DOI 10.1134/S0022476617030155
Примечания : Cited References: 17
Ключевые слова (''Своб.индексиров.''): structure--synthesis--complex--2-thiobarbituric acid--samarium(iii)--thermal decomposition--ir spectrum
Аннотация: The structure (CIF file CCDC No. 1401886) of the hexaaqua-hexakis(2-thiobarbiturato)-disamarium [Sm2(H2O)6(HTBA)6]n polymeric complex (I), where H2ТВА is 2-thiobarbituric acid, is determined; its thermal decomposition and IR spectrum are studied. The crystals of I are monoclinic: a = 14.072(1) Å, b = 10.0842(6) Å, c = 15.323(1) Å, β = 110.408(2)°, V = 2037.9(2) Å3, space group P2/n, Z = 2. All three independent thiobarbiturate anions HTBA– coordinate to Sm3+ through oxygen atoms. To one of independent Sm3+ ions six (two terminal and four bridging) HTBA– ions and two water molecules are coordinated; the second is bonded with four bridging HTBA– and four water molecules, forming square antiprisms. The bridging HТВА–anions arrange antiprisms in layers. The structure is stabilized by hydrogen bonds and a π–π interaction between the HТВА– ions. The topology of the polymer network of I is analyzed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V., Sidorenko M. Y., Dmitrushkov M. S.
Заглавие : Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2·2Н2О and the complexes M(HTBA)2(H2O)2 (M = Ni, Co, Fe)
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2014. - Vol. 70. - P.71-76. - ISSN 0277-5387, DOI 10.1016/j.poly.2013.12.021
Примечания : Cited References: 32
Предметные рубрики: 2-THIOBARBITURIC ACID
THIOBARBITURIC ACID
COLLECTION
POLYMERS
Ключевые слова (''Своб.индексиров.''): 2-thiobarbiturate complexes--3d elements--ir spectra--structure--synthesis--thermal stability
Аннотация: Four new compounds, the discrete complex [Ni(H2O) 6](HTBA)2 .2H2O (1) and the polymers Ni(H2O)2(HTBA-O,S)2 (2), Co(H 2O)2(HTBA-O,S)2 (3) and Fe(H2O) 2(HTBA-O,S)2 (4) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), have been synthesized and structurally characterized. The structure of 1 has been solved by X-ray single-crystal diffraction analysis. The Ni(H2O) 6 2+ cation has an almost ideal octahedral geometry, and there is no coordination of Ni(II) by HTBA- in 1. Complexes 2-4 have been characterized by powder XRD, TG-DSC and FT-IR. In the isostructural polymers 2-4, the metals are six-coordinated, and the octahedrons are connected by μ2-O,S bridging ligands. Each of the M(II) ions is surrounded by two water molecules, two O-coordinated HTBA- ions and two S-coordinated HTBA- ions, with all pairs being in trans-positions. Hydrogen bonding and π-π interactions play an important role for the construction of the supramolecular 3D structures of 2-4. The formation of the complexes has been evidenced by infrared spectroscopy. The thermal decomposition of 2-4 under oxidative conditions has been divided into three major stages: dehydration, oxidative degradation of the organic moiety and transformation of the inorganic residue. © 2013 Elsevier Ltd. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Golovneva I. I., Glushchenko G. A.
Заглавие : Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate
Место публикации : J. Struct. Chem.: SPRINGER, 2013. - Vol. 54, Is. 2. - P.377-382. - ISSN 0022-4766, DOI 10.1134/S0022476613020157
Примечания : Cited References: 17. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-4828.2012.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629).
Предметные рубрики: COMPLEX
Ключевые слова (''Своб.индексиров.''): crystal structure--enrofloxacinium cation--tetrabromidodichloridostannate(iv) anion--hydrogen bonds
Аннотация: A new compound EnrH(3)[SnBr3.46Cl2.54]center dot H2O, where EnrH (3) (2+) is the enrofloxacinium cation (C19H24FN3O (3) (2+) ), is synthesized and its crystal and molecular structure is determined. Crystallographic data for enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate are as follows: a = 17.1262(19) , b = 10.3435(11) , c = 17.2582(19) , beta = 119.203(1)A degrees, V = 2640.5(4) (3), space group P2(1)/c, Z = 4. Hydrogen bonds form a branched three-dimensional network linking EnrH (3) (2+) , [SnBr3.46Cl2.54](2-), and water molecules. The structure is also stabilized by the pi-pi interaction of EnrH (3) (2+) aromatic rings.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova, I., V, Lesnikov M. K.
Заглавие : Crystal Structure of Norfloxacinium and 2,2 '-Bipyridyl-1 '-Ium 2-Thiobarbiturates
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
Место публикации : J. Struct. Chem. - 2020. - Vol. 61, Is. 10. - P.1639-1647. - ISSN 0022-4766, DOI 10.1134/S0022476620100170. - ISSN 1573-8779(eISSN)
Примечания : Cited References: 33. - The reported study was funded by RFBR, project number 19-52-80003
Предметные рубрики: THERMAL-STABILITY
ACID
FORMS
Аннотация: Organic salts with the composition NfH2(Htba)·6H2O (I) and BipyH(Htba)·2H2O (II) (Н2tba is 2-thiobarbituric acid, NfH is norfloxacin and Bipy is 2,2′-dipyridyl) are prepared. Their structures are determined by XRD (CCDC cif-file No. 1967494-1967495). Crystals I are triclinic: a = 11.8821(4) Å, b = 11.9959(5) Å, c = 12.0038(4) Å, α = 119.835(1)°, β = 107.691(1)°, γ = 95.237(1)°, V = 1351.80(9) Å3, space group P-1, Z = 2. Crystals II are monoclinic: a = 7.9587(2) Å, b = 19.6272(4) Å, c = 10.1118(2) Å, β = 98.118(1)°, V = 1563.71(6) Å3, space group P21/n, Z = 4. The structures are stabilized by numerous hydrogen bonds and π–π interactions involving Нtba−, NfH+2, and BipyH+ ions. Thermal decomposition of these compounds in air includes dehydration and oxidative degradation stages.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Molokeev M. S., Golovnev N. N., Vereshchagin S. N., Atuchin V. V.
Заглавие : Crystal structure, spectroscopic and thermal properties of the coordination compounds M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+
Место публикации : Polyhedron: Elsevier, 2015. - Vol. 98. - P.113-119. - ISSN 0277-5387, DOI 10.1016/j.poly.2015.05.048
Примечания : Cited References: 43. - The study 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. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for financial support of the investigation.
Предметные рубрики: 2-THIOBARBITURIC ACID
THIOBARBITURIC ACID
1,3-DIETHYL-2-THIOBARBITURIC ACID
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
CHEMISTRY
NETWORKS
LIGAND
SERIES
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkali ion thallium(i) and ammonium cations--coordination compounds--thermal analysis--x-ray diffraction
Аннотация: Four new compounds of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, Hdetba) with Rb+, Cs+, Tl+ and NH4+ ions were prepared by Hdetba neutralization with the metal carbonates or ammonium hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray diffraction techniques, differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The coordination compounds of MDetba with M = Rb, Cs and Tl crystallize in the orthorhombic space group P212121, but compound NH4Detba crystallizes in the triclinic space group P1¯. The MDetba structures were compared at the molecular and supramolecular levels. The Detba- ion in the NH4+ compound forms conformer (A) with two diethyl groups on one side of the ion ring, whereas the Detba- ion in the Rb(I), Cs(I) and Tl(I) compounds forms conformer (B) with two diethyl groups on different sides of the ring. The results of IR spectroscopy and thermal analysis are consistent with the X-ray data. © 2015 Elsevier Ltd.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K.
Заглавие : Crystal structures of [Cu2(2,2′-bipyridine-N,N′)2(H2O)2(μ2-OH)2](barbiturate)2·2H2O and [Cu(2,2′-bipyridine-N,N′)(H2O)(barbiturate-O)Cl]·2H2O
Место публикации : Inorg. Chem. Commun. - 2018. - Vol. 97. - P.88-92. - ISSN 13877003 (ISSN), DOI 10.1016/j.inoche.2018.09.011
Примечания : Cited References: 32
Ключевые слова (''Своб.индексиров.''): copper(ii)--barbituric acid--2,2′-bipyridine--x-ray diffraction--thermal stability
Аннотация: Two mixed-ligand Cu(II) complexes [Cu2(Bipy)2(H2O)2(OH)2](Hba)2·2H2O (1) and [Cu(Bipy)(H2O)(Hba)Cl]·2H2O (2) (Bipy = 2,2′-bipyridine and Hba− = barbiturate anion) were synthesized and structurally characterized by single crystal X-ray diffraction. In 1, structural data revealed distorted square-pyramidal geometry for each of two crystallographic independent copper(II) atom with the basal plane formed by two nitrogen atoms of the 2,2′-bipyridine ligand and two oxygen atoms of bridging hydroxo groups. The apical positions are filled by the oxygen atoms from a water molecule. In 2, the Cu atom is also in distorted square pyramidal geometry, where the equatorial sites are occupied by two N atoms of one Bipy ligand, one O atom of the barbiturate ion and one chloride ion and the apical position by one aqua ligand. Numerous intermolecular hydrogen bonds O–H⋯O, N–H⋯O, C–H⋯O in the structures 1–2 and in addition O–H⋯Cl, C–H⋯Cl in the structure 2 form the 3D networks. Topological analysis showed that these H-bonded networks are new. An additional factor that plays a role in the crystal packing of the discussed complexes is the π-π stacking interaction between the aromatic rings of Hba− and Bipy forming infinite chains –Hba–Bipy–Bipy–Hba–. The spectroscopic and thermal properties of compounds were analyzed.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K.
Заглавие : Crystallographic, thermal and spectroscopic characterization of the anhydrous thiourea−barbituric acid and thiourea−2-thiobarbituric acid co-crystals
Место публикации : J. Mol. Struct. - 2019. - Vol. 1176. - P.865-870. - ISSN 00222860 (ISSN) , DOI 10.1016/j.molstruc.2018.09.035
Примечания : Cited References: 28
Ключевые слова (''Своб.индексиров.''): barbituric acid--2-thiobarbituric acid--thiourea--x-ray diffraction--infrared spectroscopy
Аннотация: Thiourea (Tu) crystallizes with barbituric acid (H2ba) and 2-thiobarbituric (H2tba) in the aqueous solution to yield co-crystals H2ba∙Tu (1) and H2tba∙Tu (2). Powder of 1 was also obtained from individual compounds via kneading with H2O. The structure of compounds was solved by the X-ray single crystal diffraction technique. In 1–2, NH⋯O, NH⋯S, CH⋯S and CH⋯O hydrogen bonds form the different 3D nets. In structure 1, centrosymmetric dimers of H2ba and Tu molecules are formed by two NH⋯O and NH⋯S hydrogen bonds, respectively. These dimers alternate in one-dimensional tapes. In compound 2, the same molecules are not bound by hydrogen bonds. Here, infinite chains are formed consisting of alternating molecules of H2tba and Tu. In these chains, each of the molecules is connected to the other by two NH⋯S hydrogen bonds. The compounds have been characterized by powder XRD, TG-DSC, and FT-IR.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lesnikov M. K., Atuchin V. V.
Заглавие : First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2·2H2O (M = Co2+, Ni2+): Crystal structure, spectroscopic and thermal properties
Место публикации : Chem. Phys. Lett.: Elsevier, 2016. - Vol. 653. - P.54-59. - ISSN 00092614 (ISSN), DOI 10.1016/j.cplett.2016.04.059
Примечания : Cited References: 50. - The study 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 2015-2016. V.V. A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation. X-ray data were obtained with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS.
Предметные рубрики: Thiobarbituric acid complexes
Transition-metal-complexes; 2-thiobarbituric acid; hydrogen-bond
2-thiobarbituric acid
Hydrogen-bond
Chemistry
Transformation
Diffraction
Ligand
Series
Copper
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--nickel(ii)--cobalt(ii)--coordination compound--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: Two new d-element compounds, [Co(H2O)6](Detba)2·2H2O (1) and [Ni(H2O)6](Detba)2·2H2O (2) (HDetba - 1,3-diethyl-2-thiobarbituric acid) were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC and FT-IR. Structural analysis revealed that (1) and (2) are discrete structures, in which M2+ ion (M = Co, Ni) is six-coordinated by water molecules and it forms an octahedron. The outer-sphere Detba- ions and H2O molecules participate in O-H?(O/S) intermolecular hydrogen bonds which form the 2D layer. Thermal decomposition includes the stage of dehydration and the following stage of oxidation of Detba- with a release of CO2, SO2, H2O, NH3 and isocyanate gases. © 2016 Elsevier B.V. All rights reserved.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li-I and Na-I
Место публикации : Acta Crystallogr. C: Wiley-Blackwell, 2013. - Vol. 69, Pt. 7. - P.704-708. - ISSN 0108-2701, DOI 10.1107/S0108270113014078
Примечания : Cited References: 26
Предметные рубрики: THIOBARBITURIC ACID
NETWORKS
Аннотация: The structures of the Li-I and Na-I salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H(2)TBA) have been studied. mu-Aqua-octaaquabis(mu-2-thiobarbiturato-kappa O-2:O')bis(2-thiobarbiturato-kappa O)tetralithium(I) dihydrate, [Li-4(C4H3N2O2S)(4)(H2O)(9)]center dot 2H(2)O, (I), crystallizes with four symmetry-independent four-coordinated Li-I cations and four independent HTBA(-) anions. The structure contains two structurally non-equivalent Li-I cations and two non-equivalent HTBA(-) anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between Li-I cations. Discrete [Li-4(HTBA)(4)(H2O)(9)]center dot 2H(2)O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[mu(2)-aqua-tetraaqua(mu(4)-2-thiobarbiturato-kappa O-4:O:S:S)(mu(2)-thiobarbiturato-kappa O-2:S)disodium(I)], [Na-2(C4H3N2O2S)(2)(H2O)(5)](n), (II), crystallizes with six-coordinated Na-I cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the mu(4)-HTBA(-) ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA(-) ligands integrate the chains to give a three-dimensional network.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lesnikov M. K.
Заглавие : Crystal Structure and Properties of Levofloxacinium 2-Thiobarbiturate Trihydrate
Коллективы : Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
Место публикации : J. Struct. Chem. - 2018. - Vol. 59, Is. 3. - P.646-651. - ISSN 0022-4766, DOI 10.1134/S0022476618030204. - ISSN 1573-8779(eISSN)
Примечания : Cited References: 20. - The work was performed within the State Task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University for 2017-2019 (4.7666.2017/BCh).
Предметные рубрики: CIPROFLOXACIN
MONOHYDRATE
QUINOLONE
ACID
Ключевые слова (''Своб.индексиров.''): levofloxacin--2-thiobarbituric acid--salt--crystal structure--absolute--structure--thermal stability--ir spectrum
Аннотация: The structure of levofloxacinium 2-thiobarbiturate trihydrate LevoH 2 + Htba–·3H2O (I) (LevoH is levofloxacin, H2tba 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) Å, b = 9.605(1) Å, c = 15.786(2) Å, α = 89.144(5)°, β = 88.279(5)°, γ = 76.068(5)°, V = 1275.4(3) Å3, 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···O and O–H···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 π–π interaction between the Htba–and LevoH 2 + ions and between the LevoH 2 + ions.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N.
Заглавие : Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)}
Место публикации : J. Struct. Chem.: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 57, Is. 1. - P.167-174. - ISSN 00224766 (ISSN), DOI 10.1134/S0022476616010200
Примечания : Cited References: 25. - The work was supported within the State Contract of the Ministry of Education and Science of the Russian Federation for research in the Siberian Federal University in 2015.
Предметные рубрики: 1,3-diethyl-2-thiobarbituric acid
Hydrogen-bond
Diffraction
Series
Ключевые слова (''Своб.индексиров.''): crystal structure--complex--europium(iii)--1,3-diethyl-2-thiobarbituric acid--thermal analysis--ir spectroscopy--photoluminescence
Аннотация: The [Eu(HDTBA)3] n complex (I), HDTBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S) is synthesized and its structure is determined by X-ray crystallography. The crystals of I are triclinic: a = 11.0205(2) Å, b = 11.8811(3) Å, c = 12.7312(2) Å, α = 100.933(1)°, β = 109.704(1)°, γ = 101.161(1)°, V = 1479.88(5) Å3, space group P-1, Z = 2. Each of three independent DETBA- ions is a bridging μ2-O,O′-coordinated ligand. The coordination polyhedron of Eu(III) is a distorted octahedron. Bridging DETBA- organize the octahedra into an infinite two-dimensional layer. The structure contains intramolecular hydrogen bonds but intermolecular hydrogen bonds and the π-π interaction are absent. The results of IR spectroscopy and photoluminescence agree with the single crystal X-ray diffraction data. The main product of the thermal decomposition of I at 900°C is oxysulfate Eu2O2SO4. © 2016 Pleiades Publishing, Ltd.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of catena-(2-thiobarbiturato) dithallium(I)
Место публикации : J. Struct. Chem.: Springer, 2014. - Vol. 55, Is. 1. - P.125-129. - ISSN 0022-4766, DOI 10.1134/S002247661401020X. - ISSN 1573-8779
Примечания : Cited References: 12. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-924.2014.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629)
Предметные рубрики: THIOBARBITURIC ACID COMPLEXES
COLLECTION
Ключевые слова (''Своб.индексиров.''): catena-2-(thiobarbiturato)dithallium(i)--crystal structure--hydrogen bonds--π-π interaction
Аннотация: By powder X-ray diffraction the crystal structure of catena-(2-thiobarbiturato)dithallium(I) C4H2N2O2STl2(C4H4N2O2S is 2-thiobarbituric acid, Н2ТBA), Tl2TBA, is determined. Crystallographic data for Tl2TBA are as follows: a = 15.1039(3) Å, b = 12.0818(2) Å, c = 3.86455(6) Å, β = 97.203(1)°, V = 741.34(2) Å3, space group P21/n, Z = 4. There are two non-equivalent thallium atoms in the structure. The Tl1 polyhedron is a distorted trigonal prism due to the shortened Tl–S contact (3.634 Å), and the Tl2 polyhedron is a distorted square antiprism.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lutoshkin M. A.
Заглавие : Crystal structure of catena-(μ4-1,3-diethyl-2-thiobarbiturato-O,O’,S,S)silver(I)
Место публикации : Russ. J. Inorg. Chem.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 60, Is. 5. - P.572-576. - ISSN 0036, DOI 10.1134/S0036023615050071. - ISSN 15318613(eISSN)
Примечания : Cited References:25
Предметные рубрики: 1,3-DIETHYL-2-THIOBARBITURIC ACID
HYDROGEN-BOND
COMPLEXES
Аннотация: The crystal structure of catena-(μ4-1,3-diethyl-2-thiobarbiturato-O,O’,S,S)silver(I) [Ag(μ4-DETBA-O,O’,S,S] (1), where HDETBA is 1,3-diethyl-2-thiobarbituric acid C8H12N2O2S, has been solved by X-ray powder diffraction. Crystals of complex 1 are monoclinic, a = 7.8339(2) Å, b = 15.4970(4) Å, c = 8.7502(2) Å, β = 111.916(2)°, V = 985.53(5) Å3, space group P21/c, Z = 4. The Ag+ ion is coordinated by two oxygen atoms and two sulfur atoms to form a distorted tetrahedron. Tetrahedra share sulfur atom vertices to form infinite chains linked via bridging DETBA− ions into a three-dimensional framework. No hydrogen bonds have been found in the structure, but π-π interaction is observed between DETBA− ions.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium
Место публикации : Russ. J. Inorg. Chem.: Springer, 2013. - Vol. 58, Is. 10. - P.1193-1196. - DOI 10.1134/S0036023613100094
Аннотация: The crystal structure of catena-bis(2-thiobarbiturato-O,S)diaquacadmium (C8H10CdN4O6S2) n (I), [Cd(H2O)2(HTBA)2] n (C4H4N2O2S is 2-thiobarbituric acid, H2TBA) has been determined. The crystals of compound I are triclinic, a = 6.9433(3) Å, b = 7.2257(3) Å, c = 7.4047(3) Å, α = 88.559(2)°, β = 75.346(2)°, γ = 111.687(1)°, V = 331.05(3) Å3, space group P1¯ , Z = 1. The Cd2+ ion is coordinated to the two oxygen atoms of water molecules and the two oxygen and two sulfur atoms of four HTBA− ions at the vertices of an octahedron. Octahedra are linked by bridging μ2-HTBA−-O,S ions into infinite chains. Intermolecular hydrogen bonds form infinite chains. The structure is also stabilized by the π-π interaction of HTBA− ions.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of catena-di(2-thiobarbiturato-O, S) aqualead(II)
Место публикации : J. Struct. Chem.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2013. - Vol. 54, Is. 5. - P.968-971. - ISSN 0022-4766, DOI 10.1134/S0022476613050193
Примечания : Cited References: 16
Предметные рубрики: THIOBARBITURIC ACID COMPLEXES
COLLECTION
Ключевые слова (''Своб.индексиров.''): catena-di(mu(2)-2-thiobarbiturato-o,s)aqualead(ii)--crystal structure--hydrogen bonds--pi-pi interaction
Аннотация: The crystal structure of catena-di(mu(2)-2-thiobarbiturato-O,S)aqualead(II) C8H8N4O5S2Pb (C4H4N2O2S is 2-thiobarbituric acid, H(2)TBA) is determined. Crystallographic data for catena-[Pb(H2O)(mu(2)-HTBA-O,S)(2)] are as follows: a = 6.5972(1) , b = 9.8917(2) , c = 10.0893(2) , alpha = 106.702(1)A degrees, beta = 93.395(2)A degrees, gamma = 107.48(1)A degrees, V = 593.82(2) (3), space group , Z = 2. The Pb2+ ion is linked with six monodentate HTBA(-) ligands through two O atoms and four S atoms and also connected with a water molecule. Additionally, there is a shortened Pb-S contact (3.622 ), given which the complex polyhedron represents a distorted square antiprism. Hydrogen bonds N-HaEuro broken vertical bar O and O-HaEuro broken vertical bar O form a branched three-dimensional network. The structure is also stabilized by the pi-pi interaction of heterocyclic HTBA(-) ions.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III)
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Russ. J. Coord. Chem.: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 40, Is. 9. - P.648-652. - ISSN 1070-3284, DOI 10.1134/S1070328414090036. - ISSN 1608-3318
Примечания : Cited References: 17. - This work was supported in the framework of the state program of the Ministry of Education and Science of the Russian Federation for research works of the Siberian Federal University in 2014.
Предметные рубрики: COMPLEXES
2-THIOBARBITURATE
Аннотация: Complex [Eu2(HTBA)6(H2O)6] n (I), where H2TBA is 2-thiobarbituric acid C4H4N2O2S, is synthesized. Its structure is determined by X-ray diffraction analysis (CIF file CCDC 987519). The crystals of complex I are monoclinic: a = 14.1033(4) Å, b = 10.0988(4) Å, c = 15.4061(5) Å, β = 110.003(1)°, V = 2061.9(1) Å3, space group P2/n, Z = 2. All three independent ligands HTBA− are coordinated to Eu3+ through oxygen atoms. Six HTBA− ions (two terminal and four bridging) and two water molecules are coordinated to one of the independent Eu3+ ions. The second Eu3+ ion is bound to four bridging HTBA− ions and four water molecules. The coordination polyhedra are square antiprisms. The bridging HTBA− ions join the antiprisms into layers. The structure is stabilized by numerous hydrogen bonds and the π-π interaction between HTBA−.
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