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    (2,6-bis{1-[4-(dimethylamino)phenylimino]ethyl}pyridine)dichlorido(tri-phenylphosphine-?P)ruthenium(II): a zigzag chain of fused centrosymmetric R22(12) rings
    (Int Union Crystallography, 2007) Ozdemir, Namik; Dincer, Muharrem; Dayan, Osman; Cetinkaya, Bekir
    The title compound, [RuCl2(C25H29N5)(C18H15P)], a transfer hydrogenation catalyst, is supported by an N,N',N-tridentate pyridine-bridged ligand and triphenylphosphine. The Run centre is six-coordinated in a distorted octahedral arrangement, with the two Cl atoms located in the axial positions, and the pyridine (py) N atom, the two imino N atoms and the triphenylphosphine P atom located in the equatorial plane. The two equatorial Ru-N-imino distances (mean 2.093 angstrom) are substantially longer than the equatorial Ru-N-py bond [1.954 (4) angstrom]. It is observed that the N-imino-M-N-py bond angle for the five-membered chelate rings of 2,6-bis(imino)pyridine-based complexes is inversely related to the magnitude of the M-N-py bond. The title structure is stabilized by intra- and intermolecular C-H... Cl hydrogen bonds, as well as by intramolecular pi-pi stacking interactions between the aromatic rings belonging to the triphenylphosphine ligand and the dimethylaminophenyl fragment. The intermolecular 2 hydrogen bonds form an R-2(2)(12) ring and a zigzag chain of fused centrosymmetric rings running parallel to the [100] direction.
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    (2Z,6Z)-N2,N2?-bis(2,6-diisopropylphenyl)-N1,N1?-bis(2-methoxyethyl)pyridine-2,6-dicarboxamidine
    (Int Union Crystallography, 2008) Dincer, Muharrem; Ozdemir, Namik; Dayan, Osman; Cetinkaya, Bekir
    In the title compound, C37H53N5O2, the benzene rings make dihedral angles of 84.61 (8) and 67.10 (9)degrees with the pyridine ring. The crystal structure is stabilized by strong intramolecular interactions. The two (2-methoxyethyl) amine groups are disordered over two positions; the site occupancies are ca 0.6 and 0.4.
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    (Acetonitrile){2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine} dichloridoruthenium(II) dichloromethane solvate
    (Int Union Crystallography, 2007) Ozdemir, Namik; Dincer, Muharrem; Dayan, Osman; Cetinkaya, Bekir
    In the title compound, [RuCl2(C2H3N)(C27H31N3)] center dot CH2Cl2, the Ru-II ion is six-coordinated in a distorted octahedral arrangement, with the two Cl atoms located in the apical positions, and the pyridine (py) N atom, the two imino N atoms and the acetonitrile N atom located in the basal plane. The two equatorial Ru - N-imino distances are almost equal ( mean 2.087 angstrom) and are substantially longer than the equatorial Ru - N-py bond [1.921 ( 4) angstrom]. It is observed that the N-imino-M-N-py angle for the five-membered chelate rings of pyridine-2,6-diimine complexes is inversely related to the magnitude of the M-N-py bond. The title structure is stabilized by intra- and intermolecular C-H center dot center dot center dot Cl hydrogen bonds, as well as by van der Waals interactions.
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    Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}-1?3N,N?,N;3?3N,N?,N-di-?-chlorido-1:2?2Cl:Cl;-2:3?2Cl:Cl-trichlorido-1?Cl,2?Cl,3?Cl-2-copper(I)-1,3-dicopper(II)
    (Int Union Crystallography, 2008) Ozdemir, Namik; Dincer, Muharrem; Dayan, Osman; Cetinkaya, Bekir
    The title complex, [Cu3Cl5(C21H17N3F2)(2)], is the first reported copper trimer including both Cu-I and Cu-II ions. The two Cu-II ions are five-coordinate in a significantly distorted square-pyramidal arrangement, with the bridging Cl atom located in the apical position, and the pyridine (py) N atom, the two imine N atoms and the other Cl atom located in the basal plane. The Cu-I ion is in a trigonal planar configuration surrounded by three Cl atoms. The structure is stabilized by intra- and intermolecular C-H center dot center dot center dot Cl and C-H center dot center dot center dot pi(py) hydrogen bonds.
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    Enol-imine/keto-amine tautomerism of (E)-4-[(2-hydroxybenzylidene)amino]phenyl benzenesulfonate
    (Int Union Crystallography, 2016) Dincer, Muharrem; Ozdemir, Namik; Kagit, Reyhan; Dayan, Osman
    [Anstract Not Available]
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    Experimental and molecular modeling investigation of (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide
    (Taylor & Francis Ltd, 2013) Ozdemir, Namik; Dayan, Serkan; Dayan, Osman; Dincer, Muharrem; Kalaycioglu, Nilgun O.
    The Schiff base compound (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide has been synthesized and characterized by IR, NMR and Uv-vis spectroscopies, and single-crystal X-ray diffraction technique. In addition, quantum chemical calculations employing density functional theory (DFT) method with the 6311++G(d,p) basis set were performed to study the molecular, spectroscopic and some electronic structure properties of the title compound, and the results were compared with the experimental findings. There exists a good correlation between experimental and theoretical data. Enol-imine/keto-amine tautomerization mechanism was investigated in the gas phase and in solution phase using the polarizable continuum model (PCM) approximation. The energetic and thermodynamic parameters of the enol-imineketo-amine transfer process show that the single proton exchange is thermodynamically unfavored both in the gas phase and in solution phase. However, the reverse reaction seems to be feasible with a low barrier height and is supported by negative values in enthalpy and free energy changes both in the gas phase and in solution phase. The solvent effect is found to be sizable with increasing polarity of the solvents for the reverse reaction. The predicted nonlinear optical properties of the compound are found to be much greater than those of urea.
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    N-(2,6-diisopropylphenyl)-6-[(2,6-diisopropylphenyl)(methacryloyl)aminocarbonyl]pyridine-2-carboximidoyl chloride
    (Int Union Crystallography, 2007) Aydin, Aslihan; Dincer, Muharrem; Dayan, Osman; Cetinkaya, Bekir
    In the title compound, C35H42ClN3O2, molecules are linked to one another by intermolecular C-H center dot center dot center dot O interactions, forming a C( 12) chain running parallel to the [ 010] direction. The molecule has a nonplanar conformation. The benzene rings make dihedral angles of 72.72 ( 6) and 62.72 ( 6)degrees with the pyridine ring.
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    Synthesis and catalytic activity of ruthenium(II) complexes containing pyridine-based tridentate triamines ('NNN') and pyridine carboxylate ligands (NO)
    (Elsevier Science Sa, 2012) Dayan, Osman; Ozdemir, Namik; Serbetci, Zafer; Dincer, Muharrem; Cetinkaya, Bekir; Buyukgungor, Orhan
    The reaction of [(p-cymene)RuCl2](2) with K[NOa-b] (NO- = 2-picolinate, a or 2-quinaldinate, b) gave neutral [(p-cymene)RuCl(NOa-b)] (1a-b), complexes which were treated with pyridine-based meridional triamine ligands ('NNN') to create complexes of the type [RuCl(NOa-b)('NNN')] (2a: 'N = N-d, NOa(-) = 2-picolinato; 2b: 'N = N-d, NOb- = 2-quinaldinato; 3a: 'N = N-b, NOa- = 2-picolinato; 3b: 'N = N-b, NOb- = 2-quinaldinato; 4a: 'N = N-p, NOa- = 2-picolinato; 4b: 'N = N-p, NOb- = 2-quinaldinato). The new compounds were characterized by elemental analysis, IR and NMR spectroscopy and, 1b was studied by single crystal X-ray diffraction. The complexes 1-4 have been employed as catalysts for the transfer hydrogenation (TH) of acetophenone derivatives to secondary alcohols in the presence of KOH using 2-propanol as a hydrogen source at 82 degrees C. The highest catalytic activity was obtained with 3a. (C) 2012 Elsevier B. V. All rights reserved.
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    Synthesis and characterization of SiO2-supported ruthenium complexes containing aromatic sulfonamides: as catalysts for transfer hydrogenation of acetophenone
    (Royal Soc Chemistry, 2013) Dayan, Serkan; Kalaycioglu, Nilgun Ozpozan; Dayan, Osman; Ozdemir, Namik; Dincer, Muharrem; Buyukgungor, Orhan
    3-Amino-N-aryl-benzenesulfonamides (1-3) were successfully synthesized by the reaction of m-phenylenediamine and various benzenesulfonyl chlorides. Then, a series of ruthenium complexes (4-6) were prepared from the reaction of [RuCl2(p-cymene)](2) and 1-3. Finally, SiO2-supported Ru(II) complexes (7-9) were prepared by an impregnation method. The synthesized compounds and materials were characterized by different methods such as NMR, FT-IR, TG/DTA, nitrogen adsorption-desorption (BET), SEM and EDX. Also, the solid state structures of 4-6 were determined by single-crystal X-ray diffraction. 4-9 were used as catalysts for the transfer hydrogenation of acetophenone. 4-9 showed good catalytic activity and so the effects of the different groups were also examined. For the transfer hydrogenation of acetophenone, 7-9 had similar activity to 4-6. However, the longer lifetime of 7-9 makes them more advantageous than the non-supported catalysts (4-6) in terms of catalytic cycle. Therefore, the effect of SiO2 was investigated as a catalyst and the results show that excess silicon(IV) oxide was a surprisingly active catalyst for the hydrogenation of acetophenone under these conditions.
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    Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine
    (Pergamon-Elsevier Science Ltd, 2013) Inkaya, Ersin; Gunnaz, Salih; Ozdemir, Namik; Dayan, Osman; Dincer, Muharrem; Cetinkaya, Bekir
    The title molecule, 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine (C33H25N5), was synthesized and characterized by elemental analysis, FT-IR spectroscopy, one- and two-dimensional NMR spectroscopies, and single-crystal X-ray diffraction. In addition, the molecular geometry, vibrational frequencies and gauge-independent atomic orbital (GIAO) H-1 and C-13 NMR chemical shift values of the title compound in the ground state have been calculated using the density functional theory at the B3LYP/6-311G(d,p) level, and compared with the experimental data. The complete assignments of all vibrational modes were performed by potential energy distributions using VEDA 4 program. The geometrical parameters of the optimized structure are in good agreement with the X-ray crystallographic data, and the theoretical vibrational frequencies and GIAO H-1 and C-13 NMR chemical shifts show good agreement with experimental values. Besides, molecular electrostatic potential (MEP) distribution, frontier molecular orbitals (FMO) and non-linear optical properties of the title compound were investigated by theoretical calculations at the B3LYP/6-311G(d,p) level. The linear polarizabilities and first hyper polarizabilities of the molecule indicate that the compound is a good candidate of nonlinear optical materials. The thermodynamic properties of the compound at different temperatures were calculated, revealing the correlations between standard heat capacity, standard entropy, standard enthalpy changes and temperatures. (c) 2012 Elsevier B.V. All rights reserved.