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Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole
Tanak, Hasan; Ilhan, Ilhan Ozer; Dege, Necmi; Akin, Nazenin; Saripinar, Emin (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2017)Crystal structure of the title compound C22H19N3O is determined by single crystal X-ray diffraction (sp. gr. P2(1)/c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane of ... -
Crystal and Molecular Structure of N-(Phenylthio)phthalimide(1)
Tanak, Hasan; Yakan, Hasan; Kutuk, Halil; Karakullukcu, Nalan Turkoz; Dege, Necmi (PLEIADES PUBLISHING INC, 2018)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. P & Unknown; with Z= 2. The title ... -
Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline
Kansiz, Sevgi; Dege, Necmi; Ozturk, Seyhan; Akdemir, Nesuhi; Tarcan, Erdogan; Arslanhan, Ali; Saif, Eiad (Int Union Crystallography, 2021)The title compound, C12H9N3O4S, synthesized by condensation of 5-nitrothiophene-2-carbaldehyde and 2-methyl-3-nitroaniline, crystallizes in the orthorhombic space group P2(1)2(1)2(1). In the molecule, the aromatic benzene ... -
Experimental (XRD, IR and NMR) and theoretical investigations on 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
Evecen, Meryem; Tanak, Hasan; Tinmaz, Feyza; Dege, Necmi; Ilhan, Ozer Ilhan (ELSEVIER SCIENCE BV, 2016)The pyrazole compound 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (I) has been synthesized and characterized by IR, NMR and X-ray diffraction methods. The compound crystallizes in the monoclinic space ... -
Experimental and theoretical studies of bis[(E)-1-((3-chloro-4-methylphenylimino)methyl)naphthalen-2-olate-N,O]copper(II)
Toprak, Senol; Tanak, Hasan; Macit, Mustafa; Dege, Necmi; Orbay, Metin (ELSEVIER SCIENCE BV, 2018)A novel Schiff base copper complex, bis[(E)-1-((3-chloro-4-methylphenylimino)methyl) naphthalen-2-olate-N,O]copper(II), has been synthesized and characterized by FT-IR and X-ray diffraction techniques. The compound ... -
Molecular and crystal structure of 2-{(E)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol: A redetermination
Kaynar, Nihal Kan; Tanak, Hasan; Sahin, Songul; Dege, Necmi; Agar, Erbil; Yavuz, Metin (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2016)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 determination. ... -
Molecular structure, spectroscopic, and density functional theory studies of o-Dianisidine
Evecen, Meryem; Tanak, Hasan; Dege, Necmi; Kara, Mehmet; Dogan, Onur Erman; Agar, Erbil (TAYLOR & FRANCIS LTD, 2017)o-Dianisidine has been characterized by the FT-IR, UV-Vis, and X-ray single-crystal determination. The compound crystallizes in the orthorhombic space group Pbca with a = 7.2593 (4) angstrom, b = 21.3485 (10) angstrom, c ... -
New Schiffbases with a 2,6-bis(2-aminophenylthio)pyridine moiety acting as glutathione reductase activator and inhibitors: Synthesis and molecular docking studies
Tunc, Turgay; Ortaakarsu, Ahmet Bugra; Hatipoglu, Seda Muhsir; Kazanci, Ugur; Karabocek, Serdar; Karabocek, Nevin; Dege, Necmi (Elsevier, 2022)2,6-bis(2-aminophenylthio)pyridine was synthesized and identified by x-ray diffraction method. Its new Schiffbases (H2L1, H2L2, L-3 and L-4) were synthesized and characterized by elemental analysis, FT-IR, LC-MS, H-1 NMR ... -
Synthesis, spectroscopic analyses, DFT calculations and molecular docking studies of Pd(II) complex of hydrazone ligand derived from ethyl carbazate
Isler, Ersin; Zulfikaroglu, Ayain; Vural, Hatice; Dege, Necmi (Taylor & Francis Ltd, 2022)A new Pd(II) metal complex of the ethyl-3-(3-ethoxy-2-hydroxybenzylidene)-carbazate (ehbcH(2)) ligand was obtained. The ligand and its complex were characterized using the several spectroscopic techniques. The molecular ... -
A theoretical and experimental study on isonitrosoacetophenone nicotinoyl hydrazone: Crystal structure, spectroscopic properties, NBO, NPA and NLMO analyses and the investigation of interaction with some transition metals
Zulfikaroglu, Aysin; Bati, Humeyra; Dege, Necmi (ELSEVIER SCIENCE BV, 2018)A new hydrazone oxime compound, isonitrosoacetophenone nicotinoyl hydrazone (inapNH(2)), was synthesized and characterized by spectroscopic techniques (MIR, H-1-NMR and C-13-NMR) and single crystal X-ray diffraction. The ...