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    Öğe
    Bis[?2-2,2?-dimethyl-N,N?-bis(2-oxido-benzyl)propane-1,3-diamine]-1?4O,N,N?,O?:2?2O,O?;2?2O,O?:3?4O,N,N?,O?-bis(N,N?-dimethylformamide)-1?O,3?O-di-?2-formato-1:2?2O:O?;2:3?2O:O?-trinickel(II)
    (Int Union Crystallography, 2007) Yildirim, Leyla Tatar; Atakol, Orhan; Kavak, Guelten
    The title crystal structure, [Ni-3(C19H24N2O2)(2)(CHO2)(2)( C3H7NO)(2)], consists of discrete centrosymmetric homotrinuclear nickel complex molecules. In each molecule, the central Ni-II ion is in a distorted octahedral coordination environment, formed by four O atoms from two chelating DML2- ligands [DMLH2 = N,N'-bis(salicylidene)-2,2'dimethyl- 1,3- propanediamine] in the equatorial plane and two O atoms of two symmetry- related formate ligands in the axial positions. The terminal Ni-II ions also have distorted octahedral coordination environments and these are formed by two O and N atoms from chelating DML2- ligands in the equatorial plane; the axial positions are occupied by O atoms from a dimethylformamide ligand and a formate ligand. The overall result is three edge-shared octahedra in which the closest Ni center dot center dot center dot Ni distance is 3.0857 (14) A. The crystal structure is stabilized by weak C-H center dot center dot center dot O hydrogen bonds ( agnostic interactions).
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    Öğe
    Diiodido-2?2I-bis(4-methylpyridine-1?N)-?-{2,2?-[1,3-propanediylbis(nitrilomethylidyne)]diphenolato-1?4O,N,N?,O?:2?2O,O?}nickel(II)zinc(II)
    (Int Union Crystallography, 2007) Yildirim, Leyla Tatar; Atakol, Orhan; Kavak, Guelten
    [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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    Öğe
    Synthesis and single crystal structure analysis of three novel benzoylthiourea derivatives
    (Tubitak Scientific & Technological Research Council Turkey, 2009) Kavak, Guelten; Ozbey, Sueheyla; Binzet, Guen; Kulcu, Nevzat
    N,N-dimethyl-N'-(2-methylbenzoyl)thiourea, C11H14N2SO (HL1), N,N-dibutyl-N'-(2-methylbenzoyl) thiourea, C17H26N2SO (HL2), and N,N-dihexyl-N'-(2-methylbenzoyl) thiourea, C21H34N2SO (HL3) were synthesized and characterized by elemental analysis, spectroscopic methods (FT-IR, NMR), and single crystal X-ray diffraction. Compound HL1 crystallizes in the monoclinic system, space group P2(1)/c, Z = 4. Compound HL3 also crystallizes in the monoclinic system, space group P2(1)/n, Z = 8 with 2 independent molecules in the asymmetric unit. Compound HL2 crystallizes in the orthorhombic system, space group Penn, Z = 8. In all compounds, molecules form dimers through the strong intermolecular N-H center dot center dot center dot S hydrogen bonds. Moreover, there are different types of intra-and inter-molecular interactions in the crystal structures, and so the molecules of the 3 compounds also pack differently.
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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.
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    Öğe
    X-Ray crystal structure analysis and determination of azo-enamine and hydrazone-imine tautomers of two hetarylazo indole dyes
    (Wiley, 2007) Oezbey, Sueheyla; Karayel, Arzu; Kavak, Guelten; Seferoglu, Zeynel; Ertan, Nermin
    Two hetarylazo indole dyes were analyzed by single crystal X-ray diffraction. Dye 1, C18H14N4O, crystallises in the monoclinic system, space group P2(1)/c, with two independent molecules in the asymmetric unit. Dye 2, C20H16N4, also crystallises in the monoclinic system, space group P2(1)/c, Z = 4. In both compounds, there are two intramolecular C-H...N hydrogen bonds which influenced the molecular conformation between the azo group and the indole ring system and its phenyl substituent. Each of the independent molecules of dye 1 interact through the N-H...N hydrogen bond, whereas no classical intermolecular hydrogen bond was observed in dye 2. The molecules of dye 1 and dye 2 are packed differently in both structures.