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    Article

    Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials

    To investigate the optical parameters, novel metal complexes of N-(pyridin-2-ylmethylene)methanamine (L1), obtained as Schiff base by the condensation reaction of 2-pyridinecarboxaldehyde with methylamine, and is...

    Davut Avcı, Özgen Özge, Adil Başoğlu, Fatih Sönmez in Optical and Quantum Electronics (2023)

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    Article

    Chemical Synthesis, X-ray Crystallography, Hirshfeld Surface Analysis, and Molecular Docking Studies of (E)-2-(((3-Bromophenyl)imino)methyl)-5-(diethylamino)phenol Schiff Base

    The title Schiff base compound (I), C17H19BrN2O, has been synthesized by the reaction of 4-(diethylamino)-2-hydroxybenzaldehyde and 3-bromoaniline. The dihedral angle between the two-phenyl ring system is 35.8(3)...

    Madhukar Hemamalini, İrem Kestek, Emine Berrin Çınar in Crystallography Reports (2021)

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    Article

    Crystallographic, spectroscopic, thermal, optical investigations and density functional theory calculations for novel Co(II) and Mn(II) complexes

    Two new picolinate complexes, namely diaquabis(6-chloropyridine-2-carboxylato-N,O)cobalt(II) (1) and diaquabis(6-chloropyridine-2-carboxylato-N,O)manganese(II) (2) were synthesized. These complexes were all chara...

    Necmi Dege, Ömer Tamer, Mavişe Yaman, Adil Başoğlu, Davut Avcı in Applied Physics A (2021)

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    Article

    Crystal structure and computational studies of (E)-1-(benzo[b]thiophen-3-yl)-N-(4-ethoxyphenyl)methanimine

    The title compound, C17H15NOS, crystallizes in the orthorhombic sp. gr. Pca21. Two molecules in the asymmetric unit have similar structure. Crystal structure contains weak C–H···O intermolecular and C–H···N intra...

    Hakan Bülbül, Yavuz Köysal, Onur Erman Doğan, Necmi Dege in Crystallography Reports (2019)

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    Article

    Crystal and Molecular Structure of N-(Phenylthio)phthalimide

    The title compound N-(Phenylthio)phthalimide has been synthesized and characterized by FT-IR, NMR, and X-ray single-crystal determination. The compound crystallizes in the triclinic sp. gr.

    Hasan Tanak, Hasan Yakan, Halil Kütük, Nalan Türköz Karakullukçu in Crystallography Reports (2018)

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    Article

    Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole

    Crystal structure of the title compound C22H19N3O is determined by single crystal X-ray diffraction (sp. gr. P21/c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane ...

    Hasan Tanak, İlhan Özer İlhan, Necmi Dege, Nazenin Akın in Crystallography Reports (2017)

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    Article

    Molecular and crystal structure of 2-{(E)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol: A redetermination

    The crystal structure of the title compound, C14H12N2O3, was recently determined as a mixture of its neutral (OH containing) and zwitterionic (NH containing) forms, in a 0.60 (4): 0.40 (4) ratio using the X-ray d...

    Nihal Kan Kaynar, Hasan Tanak, Songul Şahin, Necmi Dege in Crystallography Reports (2016)