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Crystal structure of 3-carbamothioyl-pyridinium thiocyanate 

Bouchareb H.; Boudraa M.; Bouacida S.; Merazig H.; Chtoun E.H.; Büyükgüngör, Orhan (International Union of Crystallography, 2015)
In the cation of the title salt, C6H7N2S+?SCN-, the C=S bond is oriented trans with respect to the C - C=N fragment in the pyridine ring. The planes of the aromatic ring and the thioamide fragment of the cation make a ...

Synthesis, crystal structure, Hirshfeld surface analysis, In-Silico assessment of druggability and molecular docking studies of Schiff base compound 

Dege N.; Aydın A.S.; Ağar E.; Kansız S.; JoseKavitha S.; BalaSubramani K.; Rajakannan V. (Elsevier B.V., 2020)
In this crystal structure (I), an intramolecular O—H···O hydrogen bond forms S(6) ring motif. Furthermore, this structure is stabilized by C—H···O hydrogen bonding interaction to form a chain along a-axis. The intermolecular ...

Investigations on crystal structure of a novel 3-((4,6-dimethylpyrimidin-2-yl)amino)isobenzofuran-1(3H)-one, and related theoretical studies 

Yılmaz Z.T.; Odabaşoğlu Hakkı Yasin; Şenel P.; Adımcılar V.; Erdoğan T.; Özdemir A.D.; Büyükgüngör Orhan (Elsevier B.V., 2020)
In this report, 3-((4,6-dimethylpyrimidin-2-yl)amino)isobenzofuran-1(3H)-one have been synthesized via reaction between phthalaldehydic acid and 2-amino-4,6-dimethylpyrimidine in 90% yields and characterized by Infrared ...

Synthesis, molecular structure, hirshfeld surface analysis, spectroscopic and computational studies (DFT) of 6,6'-((1E,1'E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-methylphenol) 

Sen P.; Kansız S.; Dege N. (Turkish Chemical Society, 2019)
Schiff bases have been used in biological processes and as chelating agents for several decades. In this work, a Schiff base compound was obtained with the condensation of o-phenylenediamine and an aromatic aldehyde. The ...

Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one 

Daoui S.; Baydere C.; Kalai F.E.; Saddik R.; Dege N.; Karrouchi K.; Benchat N. (International Union of Crystallography, 2019)
In the title compound, C13H14N2O3, the dihydropyridazine ring (r.m.s. deviation = 0.166 Å) has a screw-boat conformation. The dihedral angle between its mean plane and the benzene ring is 0.77 (12)°. In the crystal, ...

Synthesis, Crystal Structure and Antioxidant Potential of Di-(N-Cinnamyl) Fluoxetine Chloride 

Kanwal, Nosheen; Sahin, Onur; Husaain, Erum A.; Khan, Islam Ullah; Büyükgüngör, Orhan (Soc Chilena Quimica, 2013)
A new derivative of Fluoxetine, N,N-dicinnamyl-N-methyl-3-phenyl-3-[4-(trifluoromethyl) phenoxy] butan-1-aminium chloride hydrate [Di-(N-Cinnamyl) Fluoxetine Chloride hydrate] was synthesized and characterized by single-crystal ...

Experimental and ab initio Computational Studies on Dimethyl-(4-{4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenyl)-amine 

Yuksektepe, Cigdem; Saracoglu, Hanife; Caliskan, Nezihe; Yilmaz, Ibrahim; Cukurovali, Alaaddin (Wiley-V C H Verlag Gmbh, 2010)
A new hydrazone derivative compound has been synthesized and characterized by IR, H-1-NMR, C-13-NMR and UV-vis. spectroscopy techniques, elemental analysis and single-crystal X-ray diffraction (XRD). The new compound ...

Synthesis, Crystal Structure and Spectroscopic Studies of 2-{(E)-[2-Hydroxyphenyl)imino]methyl} Phenol Schiff Base Molecule 

Tunc, Tuncay; Sari, Musa; Sadikoglu, Murat; Büyükgüngör, Orhan (Springer/Plenum Publishers, 2009)
A new Schiff-base complex 2-{(E)-[2-hydroxyphenyl)imino]methyl}phenol has been synthesized and characterized by elemental analyses, UV-VIS and IR spectroscopy and single crystal X-ray determination. The structure comprises ...

Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride 

Restrepo, Jelem; Glidewell, Christopher; Cubillan, Nestor; Alvarado, Ysaias; Dege, Necmi; Morales-Toyo, Miguel (Elsevier Science Bv, 2019)
The compound ethyl 4-hydrazinobenzoate hydrochloride (E-4HB), C9H13N2O2Cl, has been synthesized and characterized by FT-IR, H-1 and C-13 NMR and X-ray diffraction. The compound crystallizes as colourless plates in the ...

Synthesis of a novel benzimidazole moiety-appended schiff base derivative: Fluorescence and chemosensor study 

Sen P.; Zeki Yildiz S.; Dege N.; Yasa Atmaca G.; Erdogmus A.; Dege M. (Turkish Chemical Society, 2018)
In this study, we synthesized a novel benzimidazole-based Schiff base; (E)-4,4'-methylenebis(2-((E)-(((1H-benzo[d]imidazol-2-yl)methyl)imino)methyl)phenol) (3) was synthesized by the condensation of 5,5'-methylenebis(2-h ...
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AuthorBüyükgüngör, Orhan (62)Özdemir, Namık (15)Yılmaz, Veysel T. (13)Dege, Necmi (11)Iskeleli, Nazan Ocak (10)Caglar, Sema (9)Dayan, Osman (9)Odabaşoğlu, Mustafa (9)Albayrak, Cigdem (8)Kazak, Canan (7)... View MoreSubject
Crystal structure (137)
DFT (22)DFT calculations (15)Schiff base (14)Conformational analysis (9)FT-IR (8)NMR (8)Synthesis (7)Coordination polymer (5)DFT calculation (5)... View MoreDate Issued2010 - 2020 (122)2007 - 2009 (15)Full Text StatusWithout Full Text (137)

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