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1

Novel Synthesis of 3-Methylisoxazolo[5,4-e][1,2,4]triazepin-4-ones

Ryng S., Zimecki M., Mączyński M., Głowiak T.

Polish Journal of Chemistry

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2009

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Vol. 83, nr 11

1967-1976

EN

A convenient and general method for the preparation of new 7-substituted 3-methyl - isoxazolo[5,4-e][1,2,4]triazepin-4-ones from 5-amino-3-methylisoxazole-4-carboxylic acid methylhydrazide and carbonyl compounds is described. The synthesized compounds exhibited immunosuppressive properties in the murine humoral immune response in vivo and the proliferative response of mouse splenocytes to mitogens. The X-ray structure of a representative compound is reported.

2

Bond-valence Approach to the Semicoordination in Seven-Coorinated Copper(II) Complexes with 4-Aminopyridine: Crystal and MOlecular Structure of Bis(4-aminopyridine)di(acetato)(aqua)copper(II)

Grobelny R., Valach F., Głowiak T., Mroziński J.

Polish Journal of Chemistry

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2005

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Vol. 79 / nr 1

31-36

EN

The structure of [Cu(CH3COO)2(4-aminopyridine)2(H2O)] was X-ray studied. Heptacoordinated copper atoms of [Cu(CH3COO)2(4-aminopyridine)2(H2O)] complex are consistent with bond valence sum model based on orbital metal-ligand interaction. Equatorial plane of deformed tetragonal bipyramid as copper coordination polyhedron is formed by atoms O of carboxylato ligands and water molecule. Two N atoms of 4-aminopyridine molecules occupy the axial sites. Each copper atom is semicoordinated by two atoms O from two carboxylato chelates. The lengths of two semicoordinated Cu...O bonds are 3.041(2)A (twice). Seven-coordinated copper atom of the studied compound and Cu(oxalato)(H2O) (4-aminopyridine)2 is consistent with the bond valence sum model.

3

Synthesis, X-ray Crystallography and Computer-Aided Design of 5-Amino-3-methylisoxazole-4-carboxylic Acid N-(2,4,6-Trimethylpyridinium)amide Chlorate(VII) Salt and Its Analogues

Jezierska A., Zygmunt J., Głowiak T., Koll A., Ryng S.

Polish Journal of Chemistry

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2003

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Vol. 77 / nr 11

1461-1471

EN

Experimental and theoretical investigations were performed for 5-amino-3-methylisoxazole- 4-carboxylic acid N-(2,4,6-trimethylpyridinium)amide chlorate(VII) salt, which belongs to the group of isoxazole derivatives, potential antibacterial or antifungal agents. The results related to its synthesis and X-ray diffraction are presented. Quantum- chemical DFT calculations were carried out for the title molecule and its analogues. Atomic charges were calculated according to Bader's Atoms In Molecules Theory in order to find the quantum similarities of the molecules. The Polarizable Continuum Model (SCRF/PCM) with water (_ = 78.39) as a solvent was used to determine the environment effects on molecular properties. The solid-state geometry optimization with Geodecker's pseudopotentials and plane-wave basis set was used to compare experimental and calculated geometrical parameters for the title compound.

4

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.

5

Synthesis and Antiproliferative Activity in vitro of 1-Phenyl-2-(4-aryl-1,3,4,5-tetrahydropyrido[2,3-b] [1,4]diazepin-2-ylidene)ethanone. Part I.

Liszkiewicz H., Kowalska M. W., Głowiak T., Wietrzyk J., Opolski A.

Polish Journal of Chemistry

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2002

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Vol. 76 / nr 11

1607-1617

EN

Reaction of 2,3-diaminopyridine with equimolar amount of benzoylacetone in ethanol solution in the presence of catalytic amounts of acetic acid allowed to obtain 3-(2- amino-pyridin-3-ylamino)-1-phenyl-2-buten-1-one (4) instead of 2-methyl-4-phenyl- 3H-pyrido[2,3-b][1,5]diazepine (3) reported in the literature. Treatment of compound 4 with appropriate aromatic aldehydes: benzaldehyde and substituted benzaldehyde (4- methoxy-, 3,4-dimethoxy-, 3,4,5-trimethoxy-, 3-metyl-4-methoxy-, 3-hydroxy-, 4- diethyloamino-) in methanol solution in the presence of equimolar amount of potassium hydroxide gave 1-phenyl-2-(aryl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]-diazepin-2- ylidene)-ethanones (7-13). Structures of compounds 4 and 7 were determined on a single crystal. Compounds 4 and 7-13 were examined for their antiproliferative activity in vitro against the cells of 7 human cancer cell lines, using SRB orMTTtechnique. Two out of all tested compounds revealed cytotoxic activity in vitro.

6

Synthesis, Crystal Structure, Spectroscopic Data and Magnetic Properties of the Bis(imidazole-4-acetato)copper(II) Complex

Drożdżewski P., Pawlak B., Głowiak T.

Polish Journal of Chemistry

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2001

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Vol. 75, nr 11

1711-1718

EN

Anovel complex of copper(II) and imidazole-4-acetic acid has been crystallized and investigated by X-ray diffraction, magnetic and spectroscopic (IR, Raman, UV-Vis) methods. The complex of formula [Cu(ia)2] has crystallographic Pbca symmetry. The copper(II) ion is situated in the symmetry centre and chelated by two ligand molecules via the oxygen and one of the imidazole ring nitrogen atoms. The compound shows a magnetic moment of 2.03 BM.

7

Preparation, Structure and Thermal Decomposition of Zinc(II) Complex with 2,5-Dichlorobenzoic Acid

Wołodkiewicz W., Głowiak T.

Polish Journal of Chemistry

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2001

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Vol. 75, nr 2

299-306

8

Dipole Moment, Molar Kerr Constant, Crystal and Molecular Structure of 3-Chloro-N-methyl-N-nitroaniline

Prezhdo V., Bykova A. S., Głowiak T., Prezhdo O. V., Daszkiewicz Z., Kyzioł J. B.

Polish Journal of Chemistry

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2001

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Vol. 75, nr 5

707-718

EN

Dipole moment, molar Kerr constant, crystal and molecular structure of m- ClC6H4N(CH3)NO2 (or C7H7ClN2O2) are studied. Comparison the data obtained by dipole moment and molar Kerr constant measurement, X-ray crystallographic investigation and quantum-chemical calculation show that the molecule contains a planar NNO2 nitroamino group which is twisted around the N-Cphenyl bond by ca 61.4_ from the plane of the aromatic ring. The structural data are compared with the data for p- ClC6H4N(CH3)NO2 and the influence of the substituent on the structural parameters of the molecule is established.

9

Synthesis and pharmacological properties of new derivatives of 2-amino-5-(2-amino-3-pyridyl)-1,3,4-oxadiazole

Liszkiewicz H., Głowiak T., Kowalska M., Rutkowska M., Szeląg A., Barczyńska J., Kędzierska-Goździk L., Błaszczyk F., Dziewiszek W.

Polish Journal of Chemistry

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1999

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vol. 73 nr 2

321-332

EN

Reaction of 2-aminonicotinic acid hydrazide with cyanogens bromide allowed to obtain 2-amino-5-(2-amino-3-pyridyl)-1,3,4-oxadiazole (2), which with 2- or 3-chloropropionyl chloride and 4-chlorobutyryl chloride gave 5-(2-amino-3-pyridyl)-2-(2-chloroproprionylamino)-1,3,4-oxadiazole (5), 5-(2-amino-3-pyridyl)-2-(3-chloroproprionyl- amino)-1,3,4-oxadiazole (6) and 5-(2-amino-3-pyridyl)-2-(4-chlorobutyrylamino)-1,3,4-oxadiazole (7), respectively. Cyclization of chloroacyl derivative 7 led to 5-(2-amino-3-pyridyl)-2-(2-oxo-1-pyrrolidinyl)-1,3,4-oxadiazole (9). Treatment of oxadiazole 2 with appropriate alkylating agents (1,3-dibromopropane or 1,4-dibromobutane) gave 2-azetidynyl-1,3,4-oxadiazole (10) or 2-pyrrolidynyl-1,3,4-oxadiazole (11). Compounds 3,4,7,10 and 11 were tested towards a psychotropic activity. Compound 10 showed anxiolytic properties and an antiserotonin action, which was confirmed in the test of the black-white box and the m-CPP test, respectively. Crystal structure was determined on a single crystal.

10

Properties and Crystal Structure of catena-Poly[praseodymium(III)-hexaaqua-L-threonineK3O,O'O'']trichloride and catena-Poly(pentaaqua-L-threonine-K3O,O',O'') Europium(III) and Ytterbium(III) trichlorides

Rzączyńska Z., Mrozek R., Sikorska-Iwan M., Żak Z., Głowiak T.

Polish Journal of Chemistry

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1999

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Vol. 73, nr 8

1259-1272

EN

New complexes of L-threonine and lanthanides(III) of the formulae: [Pr(L-thr)(H2O)6]Cl3 and {Ln(L-thr)(H2O)5]Cl3, where Ln is Eu(III) and Yb(III), where obtained. They were characterized by elemental, thermal and spectroscopic analyses, as well as the crystal structures were determined by X-ray diffraction method. The compounds are stable up to about 363 K but further further heating leads to decomposition to oxychlorides and next to oxides.

11

Copper(I) Halide P-Complexes with Diallylamine of the Extreme Stoichiometry

Filinchuk Y., Głowiak T., Mys'kiv M.

Polish Journal of Chemistry

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1999

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Vol. 73, nr 8

1283-1291

EN

The isostructural compounds were X-ray structurally characterized on single crystals. Molecule of diallylamine attaches to three copper(I) atoms of the same inorganic fragment. Copper atoms have different coordination spheres.

12

X-ray crystallographic and spectroscopic investigations of copper(II) nitrate-1-allylimidazole complexes

Kurdziel K., Głowiak T.

Polish Journal of Chemistry

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1998

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Vol. 72, nr 9

2181-2188

EN

Copper(II) complexes Cu2L4(NO3)4 (a) and (CuL4(NO3)2 (b), where L is 1-allylimidazole, have been synthesized and characterized by elemental analysis, IR, FTIR, near IR, VIS, magnetic and crystallographic measurements. In centrosymmetric binuclear complex (a) the nitrate anions are linked to the Cu(II) cations through bidentate oxygen atoms. In complexes (b) the Cu(II) cation occupies a symmetry centre and is tetragonalbipyramid coordinated.

13

The structure and properties of a palladium(II) complex of 2-mercapto-1-methylimidazole

Wiśniewski M. Z., Głowiak T.

Polish Journal of Chemistry

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1998

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Vol. 72, nr 3

514-518

EN

Complex of palladium(II) with 2-mercapto-1-methylimidazole has been prepared and studied by elemental analyses, X-ray diffraction, IR and far-IR spectroscopy and magnetic measurements. The crystal structure of the complex has been determined as follows: triclinic system, space group P1, a=8,78(7)A, b=8.85(2)A, c=9.80(5)A, alpha=66.7(5) degree, beta=86.9(5) degree, gamma=72.0(1) degree, V=664.3 A(3).

14

Crystal structure of Co(II) and Ni(II) isomorphous complexes with 3,4-dichlorobenzoic acid

Wołodkiewicz W., Głowiak T.

Polish Journal of Chemistry

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1998

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Vol. 72, nr 7

1249-1254

EN

The compounds have the formula [M(C7H3O2Cl2)2x4H2O], were M=Co(II), Ni(II) and their crystals are isomorphous in the monoclinic space group P2(1)/c with a=10.151(3) A, b=6.221(2) A, c=29.636(6) A and beta=93.51(3)degree for the Co(II) complex and a=10.063(3) A, b=6.200(2) A, c=29.820(6) A and beta=93.40(3)degree for the Ni(II) complex. The structure were solved by the heavy-atom method and refined to the final R=0.0293, wR=0.075 for 3150 observed reflections for the Co(II) complex and R=0.0487 and wR=0.116 for 2545 observed reflections for the Ni(II) complex. The metal(II) ion is coordinated by two oxygen atoms of two monodentate czrboxylate groups of 3,4-dichlorobenzoate anions and four oxygen atoms from water molecules. The M-O distances range from 2.050(2) A to 2.148(2) A for the Co(II) complex and from 2.039(3) A to 2.111(3) A for the Ni(II) complex.

15

Coordination compounds of Pd(II) and Pt(II) with 3,4,5,6-tetrahydro-2-pyrimidinethiol

Wiśniewski M. Z., Głowiak T., Surga W.J.

Polish Journal of Chemistry

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1998

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Vol. 72, nr 10

2226-2231

EN

Coordination compounds of Pd(II) and Pt(II) with 3,4,5,6-tetrahydro-2-pyrimidinethiol (THPT) of the general formula M(THPT)4Cl2 H2O, where stands for Pd and Pt, have been obtained and characterized by elemental analysis, X-ray diffraction patterns, derivatography (TG, DTG, DTA), magnetic measurements, and the IR and far-IR spectroscopy. Crystal and molecular structure of the Pd(THPT)4Cl2 H2O have been determined. This compound crystalizes in the monoclinic system with a=8.555(2), b=14.999(3), c=23.324(5) A, beta=91.05(3) degree, V=2832.7(11) A(3) and Z=4; space group P2-1/c. The two compounds have been found to be isostuctural.