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    Characterization of some di-block copolymers and investigation of their temperature-dependent structural behaviors
    (Int Union Crystallography, 2011) Orujalipoor, Ilghar; Tukel, Caner; Celik, Omer; Ide, Semra; Genli, Nasrettin; Degirmenci, Mustafa
    [Abstract Not Available]
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    Öğe
    Structure, antibacterial activity and theoretical study of 2-hydroxy-1-naphthaldehyde-N-methylethanesulfonylhydrazone
    (Elsevier Science Bv, 2009) Ozbek, Neslihan; Kavak, Guelten; Ozcan, Yusuf; Ide, Semra; Karacan, Nurcan
    2-Hydroxy-1-naphthaldehyde-N-methylethanesulfonylhydrazone was synthesized and its structure was investigated by X-ray diffraction. IR, NMR and mass spectroscopies. it crystallizes in the monoclinic system, space group P2(1)/c, a = 22.712(4), b = 5.793(4). c = 11.032(2) angstrom, alpha = 90.0, beta = 102.070(8)degrees, gamma = 90.0 degrees, V = 1419.4(1) angstrom(3), Z = 4. Spectroscopic assignment and calculations carried out using B3LYP/6-31G** basis set and crystallographic results indicate the predominance of the phenol-imine tautomeric form. It has strong intramolecular hydrogen bond of type O-H N [with distance donor-acceptor 2.579(4) angstrom]. The angular disposition of the bonds about the sulfur atom significantly deviates from that of a regular tetrahedron as expected. This deviation can be attributed to the non-bonded interactions involving the S=O bonds and methyl groups in both molecular and crystal structure. Result of conformational analysis was also compared with crystallographic data. Antimicrobial activity of the title compound was screened against E. coli ATCC 11230, P. aeruginosa ATCC 28753, S. enterititis ATCC 40376, S. aureus ATCC 25923 and B. cereus RSKK 863. (c) 2008 Elsevier B.V. All rights reserved.
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    Synthesis, characterization, single crystal structure and theoretical studies of trans-Ni(II)-complex with dithiophosphonate ligand
    (Elsevier Science Bv, 2018) Karakus, Mehmet; Kara, Izzet; Celik, Omer; Orujalipoor, Ilghar; Ide, Semra; Yilmaz, Hamza
    A novel metal-organic planar NiS4 - type complex, trans-Ni(II)-bis[O-(2-butoxyethyl)-(4-methoxyphenyl)dithiophosphonate], was synthesized by the reaction of ammonium salt of O-dithiophosphonic acid with Ni(CH3COO)(2). The crystal structure of Ni(II)-complex was determined by X-ray Diffraction (XRD) analysis. As a result of the X-ray crystal and molecule structure analyses of the studied trans-Ni(II)-complex, it was obtained that the central nickel atom is coordinated by four sulphur atoms in slightly distorted a square-planar geometry. The X-ray structure confirms a trans isomer of the Ni(II)complex. The Ni(II)-complex crystallizes in the monoclinic space group C12/c1 with unit cell parameters a 22.376(3) (angstrom), b 18.466(3) (angstrom) and c 8.6875(13) (angstrom). In addition, theoretical calculations with the basis set of B3LYP/6-311 + G(2d,p) are performed to determine the structural properties, FT-IR, NMR spectrum, electronic properties and NBO analysis of the compound. The experimental and computed results of the Ni(II)-complex were found to be in good agreement. (C) 2018 Elsevier B.V. All rights reserved.
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    Öğe
    Synthesis, Crystallographic and Spectral Studies of 3-(4-(Phenylamino) Phenylamino)Cyclohex-2-Enone
    (Springer/Plenum Publishers, 2010) Timur, Mahir; Kavak, Guelten; Senoz, Hulya; Ide, Semra; Tunoglu, Nazan
    The title compound, 3-(4-(phenylamino)phenylamino)cyclohex-2-enone, beta- enaminone of 1,3-cyclohexanedione and p-amino diphenylamine (C18H18N2O) was prepared and characterized by H-1-NMR, C-13-NMR, Elemental analysis and IR spectroscopy as well as single crystal X-ray diffraction. These results indicate the predominance of the keto-enol tautomerism. Molecular conformation around the central disubstituted benzene ring is affected by the tautomerism and two steric effects between side molecular groups and mono substituted benzene ring. Electron delocalizations due to these effects have been observed in the molecular structure, the structure being stabilized by some intermolecular hydrogen bonds.