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1

Analysis of X-ray structure, dielectric properties and AC conductivity of (4E)-2-amino-3-cyanobenzo[b]oxocin-6-one

Ali H. A. M., Ibrahim M. A.

Materials Science Poland

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2016

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Vol. 34, No. 2

386--392

EN

The crystal structure of (4E)-2-amino-3-cyanobenzo[b]oxocin-6-one, denoted as 4(E)-ACBO, was analyzed using X-ray diffraction technique. The dielectric and AC electrical conductivity measurements of the bulk 4(E)-ACBO in the form of pellet were studied in the range of frequency 42 Hz to 5 MHz and the temperature range of 303 K to 373 K. The temperature and frequency dependence of dielectric constant (ε1), dielectric loss (ε2) and AC electrical conductivity (δ εAC) were investigated. The relaxation time (τ) for electrons to hop over a barrier of height WH was calculated at different temperatures. The AC activation energy was determined from the temperature dependence of δ AC at different frequencies.

2

The Synthesis, X-ray Structure and Metal Cation Complexation Properties of Colored Crown with Two Heterocyclic Residues as a Part of Macrocycle

Wagner-Wysiecka E., Luboch E., Fonari M. S.

Polish Journal of Chemistry

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2008

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Vol. 82, nr 7

1319-1330

EN

New azocrown ether with pyrrole and pyridine as parts of macrocycle was synthesized. Metal cation complexation was investigated in acetonitrile and in acetonitrile-water mixture with the use of UV/VIS spectroscopy. Structure of the macrocycle was studied by X-ray diffraction.

3

Structural and Spectroscopic Study of trans-Bis(1,3,5-trimethylpyrazole)-bis(O,O'-nitrate) Copper(II) Complex

Wiśniewski Z., Wojciechowska A., Kochel A., Wysokiński R.

Polish Journal of Chemistry

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2007

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Vol. 81, nr 7

1277-1288

EN

Cu II complex with 1,3,5-trimethylpyrazole (1,3,5-TMePz) trans-[Cu(1,3,5-TMePz)2(NO3)2] has been prepared and studied by X-ray diffraction, vibrational and electronic spectroscopy. The complex crystallizes in the orthorhombic crystal system, P212121 space group with lattice parameters:a = 7.6784(8),b = 13.5856(11), c = 16.3372(13) capital A ring, V = 1704.2(3)capital A ring 3 and Z = 4. The hydrogen bond system stabilizes the crystal structure. Two nitrogen atoms of 1,3,5-TMePz and four oxygen atoms of chelating NO-3 groups form a trans-CuIIN2O2O2 ' chromophore.

4

The Synthesis, Spectroscopic Investigation,Crystal and Molecular Structure of the [ReCl2(N2COPh)(2,3'-bpy)(PPh3)2] Complex

Michalik S., Dzięgielewski J., Kruszyński R.

Polish Journal of Chemistry

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2006

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Vol. 80, nr 5

685-691

EN

The [ReCl2(N2COPh)(2,3'-bpy)(PPh3)2] complex has been obtained in the reaction of [ReCl2(2-N2COPh-N',O)(PPh3)2] with an excess of 2,3'-bipyridyl. The [ReCl2(N2COPh)(2,3'-bpy)(PPh3)2] complex crystallizes in the triclinic space group P-1. The complex was characterized by IR, UV-VIS, and magnetical measurements. The geometries of the complex was optimized with the DFT method.

5

Synthesis, Characterization and Antimicrobial Activities of Some Metal Complexes with N'-(2-Chloro-benzoyl)thiourea Ligands: The Crystal Structure of fac-[CoL3] and cis-[PdL2]

Emen M., Arslan H., Külcü N., Flörke U., Duran N.

Polish Journal of Chemistry

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2005

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Vol. 79 / nr 10

1615-1626

EN

N,N-dimethyl-N'-(2-chloro-benzoyl)thiourea (L1H) and N-pyrrolidine-N'-(2-chlorobenzoyl) thiourea (L2H) and their Ni(II), Cu(II), Zn(II), Pt(II), Pd(II) and Co(III) complexes. The structure of the prepared compounds was investigated by using elemental analyses, IR, 1H-NMR, UV-Vis, mass spectra and magnetic susceptibility. The prepared compounds were screened for their in vitro antibacterial and antifungal activities. All compounds showed antimicrobial activity, however, the antibacterial efficacy is better than antifungal activity. Molecular structures of Co(L1)3 and Pd(L1)2 were determined by single crystal X-ray diffraction methods. The ligands coordinate to Ni(II), Cu(II), Zn(II), Pt(II) and Pd(II) in a bidentate manner yielding essentially neutral complexes of the type ML2. The coordination polyhedra around the Co(III) ion are distorted octahedra.

6

Spectroscopic Characterization, Crystal and Molecular Structure of [ReBr2N(PPh3)2]

Dzięgielewski J., Michalik S., Jaworska M., Kruszyński R., Kusz J.

Polish Journal of Chemistry

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2005

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Vol. 79 / nr 7

1193-1203

EN

Rhenium nitrido-complex [ReNBr2(PPh3)2] has been characterized by X-ray diffraction, IR and UV-Vis spectroscopies. The geometry optimization was carried out with the DFT method using B3LYP functional. The electronic spectrum was calculated with the TDDFT method.

7

Nickel(II) Dithiocarbamates with AsI3 and SbI3 as Mixed Ligands

Pastorek R., Kameníček J., Trávníček Z., Pavlíček M., Cvek B., Husárek J., Šindelář Z.

Polish Journal of Chemistry

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2005

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Vol. 79 / nr 4

637-644

EN

Ni(II) dithiocarbamates with AsI3 or SbI3 as ligands of the composition [Ni(hmidtc)2(AsI3)] (1), [Ni(bzbutdtc)2(AsI3)] (2), [Ni(bzbutdtc)2(SbI3)]_2CHCl3 (3), [Ni(bz2dtc)2(AsI3)] (4), [Ni(bz2dtc)2(SbI3)]_CS2 (5), [Ni(hmidtc)2(AsI3)2]_CHCl3 (6), [Ni(hmidtc)2(SbI3)2] (7) and [Ni(cetdtc)2(AsI3)2] (8), (hmidtc = hexamethyleneiminedithiocarbamate, bzbutdtc = benzylbutyldithiocarbamate, bz2dtc = dibenzyldithiocarbamate, cetdtc = cyclohexylethyldithiocarbamate, dtc = S2CN-) have been synthesized. The complexes have been characterized by elemental analyses, thermal analysis, IR and UV/VIS spectroscopies, magnetochemical and conductivity measurements as square-pyramidal (1-5) and octahedral (6-8) complexes. X-ray analysis of [Ni(bz2dtc)2(AsI3)] and [Ni(bz2dtc)2(SbI3)]_CS2 confirmed square-pyramidal arrangement around nickel in both complexes with the NiS4As and NiS4Sb chromophore, respectively.

8

Synthesis and structure of Two thiocarboxypyrazolic Acid Derivatives

Główka M., Błaszczyk M., Prentjas Ch., Kovala-Demertzi D.

Polish Journal of Chemistry

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2004

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Vol.78 /nr 11-12

2013-2022

EN

Two thiocarboxypyrazolic acid amide derivatives were obtained unintentionally in a reaction of thiosemicarbazone with 2-acetylbutyrolactone, and structures of the final products have been determined by X-ray diffraction. Due to conjugation of the thioamide group with the planar pyrazolic ring, the molecule is flat, except 2-hydroxylethyl chain, accidentally adopting similar conformation in the two studied molecules. Also similar is the packing, despite different hydrogen bonding schemes, resulting from the different number of donoric H atoms and the presence of an additional water molecule in the second compound. The mechanism of the reaction is suggested.

9

Syntheses, Structure and Magnetism of Heterobinuclear mi-Oxamido Cu(II)-Ni(II) Complexes Containing tacn as a Terminal Ligand

Yau H., Yan S., Liao D., Wang G., Yao X., Wang H.

Polish Journal of Chemistry

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2004

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Vol. 78 / nr 7

911-917

EN

Two new heterobinuclear complexes, namely Ni(tacn)Cu(oxpn)(ClO4)2.2H2O (1) and Ni(tacn)Cu(pmoxd)(ClO4)2.CH3OH (2), have been prepared from the planar fragments Cu(oxpn) and Cu(pmoxd) (tacn denotes 1,4,7-triazacyclononane, oxpn and pmoxd stand for the dianions of N,N'-bis(3-aminopropyl)oxamide and N,N'-bis(2-pyridylmethyl) oxamide, respectively). Compound 1 crystallizes in the triclinic system, space group Pî, with a= 8.573(2), b= 12.808(3), c = 13.122(3) A, alfa = 99.63(3), beta = 104.72(3) and gama = 96.45(3) graduate at 299 K, Z = 2. The Cu(II) ions are in square-pyramidal surroundings and the Ni(II) ions in octahedral surroundings. The temperature dependence of the magnetic susceptibilities of 1 has been studied in the 5-300 K range, giving the exchange integral J = -92.7 cm-1. This value, while close to those reported for other Cu(II)-Ni(II) complexes involving Cu(oxpn), represents the minimum exchange constant of such heterobinuclear system.

10

Selective Formation of Isopropyl alfa- and beta-Glucofuranosides in One Pot Reaction from D-Glucose and Propanol-2 Promoted by V2O5

Tyrlik S., Bednarek E., Bocian W., Sitkowski J., Maurin J., Olejnik M., Nalewajko B., Kozerski L.

Polish Journal of Chemistry

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2004

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Vol. 78 / nr 6

803-814

EN

Reaction of D-glucose with propanol-2 promoted by V2O5 gives rise exclusively to isopropylglucofuranosides. Their tetraacetates were prepared; X-ray structure of one of tetraacetates was determined. 1H and 13C NMR signals assignment was done by COSY and GMBC techniques. Mechanism of selective glucosidation was discussed.

11

The Syntheses, Crystal, Molecular and Electronic Structures of [ReBr3(py)3]0.42[ReBr2(NO)(py)3]0.58, trans-[ReBr4(OPPh3)2] and Orthorhombic Polymorph of mer-cis-[ReBr3(NO)(OPPh3)2]

Machura B., Dzięgielewski J., Kusz J.

Polish Journal of Chemistry

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2003

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Vol. 77 / nr 5

519-533

EN

[ReBr3(py)3]0.42[ReBr2(NO)(py)3]0.58 (1), trans-[ReBr4(OPPh3)2] (2), [ReBr(NO)(dppe)2]Br (3) and orthorhombic polymorph of mer-cis- [Re(NO)Br3(OPPh3)2] (4) complexes have been synthesized by reactions of monoclinic polymorph of mer-cis-[Re(NO)Br3(OPPh3)2] with pyridine, bis(diphenylophosphino) ethane, 2,2_-bipyridine, 1,10-phenanthroline. The NO group in 1 and 4 is coordinated in a linear way. Due to nitrosyl/bromine compositional disorder, the shortening of Re-NO distance [1.68(5) A] and the elongation of N-O bond length [1.38(10) A] are observed in1. The N-O bond length in 4 is extremely short [0.94(1) A], which results probably from steric interactions of two mutually cis OPPh3 molecules and a large discrepancy of Re-O-P angle values.

12

On a New Unexpected Benzoxazino-Benzoxazine Derivative

Nowicka-Scheibe J., Sośnicki J. G., Grech E., Głowiak T., Sobczyk L.

Polish Journal of Chemistry

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2003

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Vol. 77 / nr 11

1419-1426

EN

The reaction between 2-amino-5-nitrophenol and 1,2-cyclohexanedione in ethanol leads to formation, in addition to corresponding propellane, of 3. The X-ray diffraction, NMR and IR studies allowed to solve the structure of molecules. It has been shown that planar nitrobenzoxazine groups are oriented to each other perpendicularly with a chair conformation of the cyclohexyl unit. The possible mechanism of reaction leading to 3 is discussed.

13

Cyclohexylethyl- and Hexamethyleneimine Nickel(II)dithiocarbamates with 1,6-Bis(diphenylphosphino)hexane

Pastorek R., Kameníček J., Husárek J., Pavlíček M., Šindelář Z., Žák Z.

Polish Journal of Chemistry

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2003

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Vol. 77 / nr 7

805-812

EN

A binuclear diamagnetic Ni(II) dithiocarbamates with 1,6-bis(diphenylphosphino)hexane (dpph) as a bidentate bridging P,P-ligand of composition [Ni2(_-dpph)(hmidtc)2X2] (hmidtc = hexamethyleneiminedithiocarbamate, dtc = S2CN-, X = Cl, Br, I, ClO4, NCS); [Ni2(_-dpph)(cetdtc)2X2] (cetdtc = cyclohexylethyldithiocarbamate, X = Cl, Br, I, NCS) and also the mononuclear diamagnetic complex [Ni(cetdtc)(dpph)]ClO4_2H2O have been synthesized. The complexes have been studied by elemental analysis, IR and UV-VIS spectroscopy, thermal analysis, magnetochemical and conductivity measurements. X-ray structural analysis was solved for the [Ni2(_-dpph)(hmidtc)2Br2]_2CHCl3 and confirmed the presence of two NiS2PBr chromophores bonded by the P-donor atoms of 1,6-bis(diphenylphosphino)hexane.

14

Characterization of Small Azocrown Ether Stereoisomers

Luboch E., Wagner-Wysiecka E., Kravtsov V., Kessler V.

Polish Journal of Chemistry

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2003

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Vol. 77 / nr 2

189-196

EN

The stable E- and Z-isomers of 10-membered azocrown ether have been isolated and studied by X-ray, 1H NMR and UV-Vis methods. Their structures in a solid state indicate the stretched conformation for trans-isomer and unstressed for cis-isomer. The concerted effect of azo-group _-conjugation with benzene residue and steric strain of molecular conformation results in the observed stability of isomers.

15

The Synthesis and Structure of Diaza- ans Tetraazacoronands

Lipkowski P., Urbańczyk-Lipkowska Z., Jurczak J.

Polish Journal of Chemistry

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2002

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Vol. 76 / nr 5

729-736

EN

A general method of the synthesis of simple azacoronands via the amidation reaction is presented. Several examples of the X-ray structure studies of the compounds obtained are given.

16

Regioselective Synthesis of New Chelating Bistetrazole Ligands and Study of Their Coper(II) Complexes

Voitekhovich S., Gaponik P. N., Pytleva D. S., Lyakhov A. S., Ivashkevich O. A.

Polish Journal of Chemistry

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2002

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Vol. 76 / nr 10

1371-1380

EN

Synthesis of some new N-substituted bistetrazoles is described. 1,5-Bis(2-tert-butyl- 5-tetrazolyl)-3-oxopentane (btop) is obtained by regioselective alkylation of 1,5-bis(5- tetrazolyl)-3-oxopentane with tert-butyl alcohol in 96% sulphuric acid media. 1,5-Bis(1- methyl-5-tetrazolyl)-3-oxopentane (mtop) is synthesized by exhaustive methylation of 1,5-bis(2-tert-butyl-5-tetrazolyl)-3-oxopentane followed by the removal of tert-butyl group from the formed tetrazolium methyl sulphate in acidic conditions. Isomeric tetrazolium perchlorate is converted in analogous conditions to perchlorate of 1,5-bis(1- methyl-5-tetrazolyl)-3-oxopentane. Synthesized bistetrazoles are found to react with copper(II) chloride in ethyl alcohol or acetone solutions giving solid [Cu(mtop)Cl2] and [Cu(btop)Cl2] complexes. Perchlorate of 1,5-bis(1-methyl-5-tetrazolyl)-3-oxopentane reacts with copper(II) chloride in ethyl alcohol leading to formation of complex [Cu(mtop)Cl2], whereas in aqueous solution complex [Cu(mtop)2](ClO4)2 is formed. According to X-ray study of chloride complexes, Cu(II) is surrounded by a tridentate chelating ligand and two halide anions resulting in distorted square pyramidal geometry.

17

Bis(dialkylaminomethyl)phosphinic Acids and Their Addition Compounds with Tetrahedral {MCl4]2-Ions (M=Cu II, Co II)

Kasparek F., Trávniček Z., Bekárek V., Marek J.

Polish Journal of Chemistry

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2002

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Vol. 76 / nr 10

1389-1397

EN

Monohydrate monohydrochloride of bis(dialkylaminomethyl)phosphinic acids of the composition, [(R1HCH2)2PO2]Cl_H2O {R1 = Me2 N, Et2N, (n-Bu)2N, C5H10N, OC4H8N}, dihydrate dihydrochloride of bis(dialkylaminomethyl)phosphinic acids, [(R2HCH2)2P(O)OH]Cl2_2H2O {R2 = Me2 N, C4H8N, C5H10N, OC4H8N}, and their copper(II) and cobalt(II) addition compounds with tetrahedral [MCl4]2- ions {M = CuII, CoII} have been prepared and characterized by elemental analyses, effective magnetic moments, IR, VIS, and 1H and 31P-NMR spectra. Crystal and molecular structures of [(OC4H8NHCH2)2PO2]Cl_H2O and [(OC4H8NHCH2)2PO2]2CuCl4 have also been determined.

18

Synthesis, structure and Tuberculostatic Activity of N'-(amino-pyridyl-methylene)-hydrazinecarbodithioic Acid Methyl Esters

Orlewska C.

Polish Journal of Chemistry

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2001

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Vol. 75, nr 9

1237-1245

EN

The methods of preparation of the title esters from imidates or amidrazones are described, and structures of the compounds are elucidated on the basis of 1H, 13C-NMR, 2D-NMR spectra and X-ray diffraction method. Tuberculotic activity was also studied.

19

Crown Ethers with Azo or Azoxy Unit and Sulfur Atom(s) in 16-Membered Macrocycle

Szczygelska-Tao J., Kravtsov V. Ch., Biernat J. F.

Polish Journal of Chemistry

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2001

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Vol. 75, nr 7

991-1000

EN

16-membered crown ethers bearing oxygen and sulfur atom(s) and an azo or azoxy group in the macrocycle have been synthesized by reductive macrocyclization of respective dinitropodands. Behavior of the compounds as ionophores in ion-selective membrane electrodes has been studied. The structure of 16-membered azothiacrown ether has been solved by X-ray analysis.

20

The Synthesis, Spectroscopic Characterization, Crystal and Molecular Structure of [ReBr3(NO)(dppe)]0.60[ReBr4(dppe)]0.40

Dzięgielewski J., Machura B., Małecki J., Bartczak T., Czurak W.

Polish Journal of Chemistry

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2000

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Vol. 74, nr 2

191-198

EN

[ReOBr3(dppe)] (where dppe denotes Ph2PCH2CH2PPh2) reacts with gaseous nitric oxide in the presence of an acces of free PPh3 to give [ReBr3(NO)(dppe)0.60[ReBr4(dppe)]0.40, characterized by X-ray crystallography, IR, UV-Vis, and magnetochemical measurements. The coplex is a paramagnetic compound with magnetic moment 2.54 MB.