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1

Synthesis and crystal structure of 2,3,4-tri-0-acetyl-B-D-xylose 1-phosphorothioselenoate

100%

Kudelska W. , Olczak A. , Główka M. , Jankowski S.

Polish Journal of Chemistry

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1999

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tom vol. 73 nr 3

487-492

EN

Ambident anion derived from phosphorothioselenoates was glycosylated with1,2,3,4-terta-O-acetyl-b-D-xylopyranose in the presence of boron trifluoride etherate to yield Se-xylosyl and S-xylosyl phosphorothioselenoates. Structures of the products were established on the basis of selective oxidation. 31P NMR, 1H NOE studies and unambiguously by X-ray diffraction.

2

The crystal structure of strontium complex with 3-aminopyrazine-2-carboxylic acid

80%

Leciejewicz J. , Ptasiewicz-Bąk H. , Zachara J.

Polish Journal of Chemistry

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1998

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tom Vol. 72, nr 8

1994-1998

EN

In the crystals of trans-diaquobis(my-3-aminopyrazine-2-carboxylato-N,O,O,O)strontium(II) the Sr ion is eightfold coordinated: by two aminopyrazine (APZA) ligands via their (N,O) bonding moieties [Sr-O 2.5189(15) A, Sr-N 2.7280(18) A], two other carboxylate oxygen atoms donated by the adjacent APZA molecules [Sr-O 2.5989(16) A] bridging the Sr(APZA)2 units into molecular ribbons and two water molecules [Sr-O 2.5556(18) A]. The ribbons are interconnected by hydrogen bonds involving the water molecules and the carboxylate oxygens [O-H...O 2.71(1) A], as well as the amino group nitrogen atoms and the heteroring nitrogen atoms [N-H...N 3.08(1) A].

3

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

80%

Wołodkiewicz W. , Głowiak T.

Polish Journal of Chemistry

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1998

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tom 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.

4

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]

80%

Machura B. , Dzięgielewski J. , Kusz J.

Polish Journal of Chemistry

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2003

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tom 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.

5

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

80%

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

Polish Journal of Chemistry

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2002

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tom 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.

6

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

80%

Michalik S. , Dzięgielewski J. , Kruszyński R.

Polish Journal of Chemistry

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2006

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tom 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.

7

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

80%

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

Materials Science Poland

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2016

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tom 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.

8

On a New Unexpected Benzoxazino-Benzoxazine Derivative

80%

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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tom 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.

9

Cation of N-Allylbenzothiazolium as a P-Ligand in Copper(I) Halide Complexes: Synthesis and Crystal Structure of [C7H5NS(C3H5)]+.CuCIcl2.H2O and [C7H5NS(C3H5)]+.CuCl1.06Br0.94.H2O Compunds

80%

Goreshnik E. , Mys'kiv M.

Polish Journal of Chemistry

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1999

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tom Vol. 73, nr 8

1245-1252

EN

By alternating-current electrochemical synthesis crystals of [ ] P-complexes have been obtained and structurally characterized. Owing to the cationic form, the ligand is coordinated to Cu atom only through the C=C bond. Due to the bridge role of X(2) atom [X=Cl(I) or statistic mixture Cl, Br (II))}, cyclic fragments Cu2X2 appear.

10

Synthesis and Crystal Structure of Copper(I) Chloride P-Complex with 1-Allylbenzotriazole of CuCl.C6H4N3(C3H5) Composition

80%

Goreshnik E.

Polish Journal of Chemistry

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1999

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tom Vol. 73, nr 8

1253-1258

EN

By alternating-current electrochemical synthesis crystals of CuCl.C6H4H3(C3H5) P-complex (I) have been obtained and structurally investigated. Due to the coordination of Cu(I) atoms through the nitrogen atom and olefinic group of the same molecule, organometallic chains appear. bridged Cl atoms combine these chains into a three-dimensional framework.

11

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]

80%

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

Polish Journal of Chemistry

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2005

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tom 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.

12

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

80%

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

Polish Journal of Chemistry

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2005

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tom 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.

13

X-Ray and EPR study on copper (II) complexes with an enamine ligand

80%

Ahmedova A. , Vaz M. , Ciattini S. , Gochev G. , Caneschi A. , Mitewa M.

Open Chemistry

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2005

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tom 3

|

nr 1

146-156

EN

The enamine (HEAID) obtained from aniline and 2-acetyl-1,3-indandione (2AID) behaves as a bidentate ligand in coordination with copper (II) ion. Two types of crystals, apparently different in shape, were isolated and studied by single-crystal X-ray diffraction. The X-ray data for the brown rhombic crystals of compound 1 shows a mononuclear complex of Cu(II) coordinated with two EAID-anions, Cu(EAID)2. The X-ray data for the green crystals of compound 2 shows a dinuclear Cu(II) complex with two OH− groups acting as bridging ligands, [Cu2(μ-OH)2(EAID)2]. In both cases the ligand coordinates after deprotonation of the amine group.

14

The crystal structure of 1-(4-chlorophenyl)-3-(4-methylbenzoyl)thiourea

80%

Saeed A. , Parvez M.

Open Chemistry

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2005

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tom 3

|

nr 4

780-791

EN

1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea was synthesized and characterized by IR,1H and 13C NMR, mass spectroscopy and the elemental analysis. The crystal structure was confirmed from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a=12.038(3), b=6.330(6), c=18.912(5) Å and β=100.32(3)°. There is a strong intramolecular hydrogen bond of the type N−H...O, with distance N1...O1=2.659(3) Å. The structure is composed of dimers related by inversion centers. The dimers are formed by intermolecular interactions of the type N−H...S with N...S separation of 3.440(2) Å. The mass fragmentation pattern has also been discussed.

15

Structure of N2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-(1R,1S)-6,7-dimethoxy-1-(3-pyridylmethyl)-1,2,3,4-tetrahydro-2-isoquinolinecarboxo amide

80%

Maurin J. , Czarnocki Z. , Paluchowska B.

Polish Journal of Chemistry

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1999

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tom vol. 73 nr 2

377-383

EN

N2-[2-Chlorophenyl)-1,3-thiazol-2-yl]-(1R,1S)-6,7-dimethoxy-1-(3-pyridylmethyl)-1,2,3,4-tetrahydro-2-isoquinolinecarboxo amide (C27H25CIN4O3S) combines the aminothiazole fragment with the isoquinoline segment of known pharmacological activity. Confirmation of a substituent at N2 of isoquinoline is determined by attractive Coulombic interaction between carbonyl oxygen and thiazole sulphur atom.

16

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

80%

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

Polish Journal of Chemistry

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2001

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tom 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.

17

Synthesis and structure of Two thiocarboxypyrazolic Acid Derivatives

80%

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

Polish Journal of Chemistry

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2004

|

tom 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.

18

Amination-reduction reaction as simple protocol for potential boronic molecular receptors. Insight in supramolecular structure directed by weak interactions

70%

Adamczyk-Woźniak A. , Madura I. , Pawełko A. , Sporzyński A. , Żubrowska A. , Żyła J.

Open Chemistry

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2011

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tom 9

|

nr 2

199-205

EN

The synthesis of the potential molecular receptors in the amination-reduction reaction has been investigated within the model system comprising (2-formylphenyl)boronic acid and morpholine. The 3-amine substituted benzoxaborole was identified to be the intermediate of the synthesis and the unsubstituted benzoxaborole as the by-product resulting from reduction of the starting material. The insight into the reactivity of the starting materials as well as the intermediate benzoxaborole enabled significant rise in the yield of 2-(aminomethyl) phenylboronic acids synthesis. The solid state structure of 2-(piperidylmethyl)phenylboronic acid has been re-determined, and the description of the molecule and the crystal is given. The supramolecular layer structure directed by the weak C-H…O and C-H…π interactions was identified and scrutinized based on the geometry and Hirshfeld surface analyses

19

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

70%

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

Polish Journal of Chemistry

|

2003

|

tom 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.

20

The Role of Steric Hindrance in Molecular recognition Process of 1,4-Diols Obtained from Tartaric Acid

70%

Szczęsna B. , Urbańczyk-Lipkowska Z.

Polish Journal of Chemistry

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2000

|

tom Vol. 74, nr 4

495-501

EN

X-ray structure analysis has been done and compared with already known crystal structure of host compound. The lack of complexing properties of the former could be explained by differences in intermolecular hydrogen bonding pattern, expressed by sterically hindered and strain free hydroxy groups. respective solution and solid state IR spectra show the same effect in both media.