Browsing by Author "Dincer, Muharrem"
Now showing items 1-20 of 40
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1-(3-Methyl-3-mesityl)-cyclobutyl-2-(5-pyridin-4-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-ethanone: X-ray structure, spectroscopic characterization and DFT studies
Inkaya, Ersin; Dincer, Muharrem; Ekici, Oner; Cukurovali, Alaaddin (Pergamon-Elsevier Science Ltd, 2013)The triazole compound 1-(3-Methyl-3-mesityl)-cyclobutyl-2-(5-pyridin-4-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-ethanone, (C23H26N4OS), was characterized by X-ray single crystal diffraction technique, IR NMR spectroscopy and ... -
2-(1-phenylethylideneamino) guanidine
Demir, Sibel; Dincer, Muharrem; Saripinar, Emin (Int Union Crystallography, 2006)The title compound, C9H12N4, is planar. The crystal packing is mainly stabilized by intramolecular and intermolecular N - H center dot center dot center dot N and C - H center dot center dot center dot N hydrogen-bonding ... -
2-Chloro-N '-[4-(dimethylamino)benzylidene]-N-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]acetohydrazide
Inkaya, Ersin; Dincer, Muharrem; Cukurovali, Alaaddin; Yilmaz, Engin (Wiley-Blackwell Publishing, Inc, 2011)The molecular conformation of the title compound, C(25)H(27)ClN(4)OS, is stabilized by an intramolecular benzylidine C-H center dot center dot center dot N(thiazole) hydrogen bond. The thiazole ring makes dihedral angles ... -
2-Chloro-N-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]-N '-(naphthalen-1-ylmethylidene)acetohydrazide
Inkaya, Ersin; Dincer, Muharrem; Cukurovali, Alaaddin; Yilmaz, Engin (Wiley-Blackwell, 2011)In the molecular structure of the title hydrazide derivative, C27H24ClN3OS, the acetohydrazide group is approximately planar, with a maximum deviation of 0.017 (3) angstrom. The dihedral angle between the naphthylene system ... -
2-Chloro-N_-[4-(dimethylamino)benzylidene]-N-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]acetohydrazide
Inkaya, Ersin; Dincer, Muharrem (Int Union Crystallography, 2011)… -
5,5 '-Pyridine-2,6-diylbis[4-ethyl-2,4-dihydro-1,2,4-triazole-3(2H)-thione]
Demir, Sibel; Dincer, Muharrem; Cetin, Ahmet; Dayan, Osman; Cansiz, Ahmet (Int Union Crystallography, 2006)In the title compound, C13H15N7S2, the two triazole rings are twisted away from the central pyridine ring by 11.7 (2) and 41.8 (1)degrees. Inversion-related mol-ecules are linked by N-H center dot center dot center dot S ... -
Ab initio and semi-empirical computational studies on 5-hydroxy-4-methyl-5,6-di-pyridin-2-yl-4,5-dihydro-2H-[1,2,4]triazine-3-thione
Karakurt, Tuncay; Dincer, Muharrem; Cukurovali, Alaaddin; Yilmaz, Ibrahim (Elsevier, 2011)The title compound, 5-hydroxy-4-methyl-5,6-di-pyridin-2-yl-4,5-dihydro-2H-[1,2,4]triazine-3-thione (C14H13N5OS), was prepared and characterized by electronic spectroscopy and single-crystal X-ray diffraction (XRD). The ... -
Ab initio and semi-empirical computational studies on 5-hydroxy-5,6-di-pyridin-2-yl-4,5-dihidro-2H-[1,2,4]triazine-3-thione
Karakurt, Tuncay; Dincer, Muharrem; Cukurovali, Alaaddin; Yilmaz, Ibrahim (Elsevier, 2012)The title compound, 5-hydroxy-5,6-di-pyridin-2-yl-4,5-dihidro-2H-[1,2,4]triazine-3-thione (C13H11 N5OS), was prepared and characterized by electronic spectroscopy and single-crystal X-ray diffraction (XRD). The compound ... -
Ab Initio and Semiempirical Computational Studies on 1-{(2E)-2-[(Aminocarbonothioyl)hydrazono]-2-(3-mesityl-3-methylcyclobutyl)ethyl}-pyrrolidine-2,5-dione
Karakurt, Tuncay; Dincer, Muharrem; Cukurovali, Alaaddin (Wiley-Blackwell, 2012)The molecular geometry, vibrational frequencies, and gauge including atomic orbital (GIAO) (1)wH- and C-13 NMR chemical shift values of the title compound in the ground state have been calculated using the Hartree-Fock ... -
A comparative study on 4-(4-(3-mesityl-3-methylcyclobutyl)thiazole-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one: Experimental and density functional methods
Sen, Fatih; Ekici, Oner; Dincer, Muharrem; Cukurovali, Alaaddin (Elsevier Science Bv, 2015)In the present study, combined experimental and computational study on molecular structure and spectroscopic assignments of title compound has been reported. The crystal was synthesized and its molecular structure brought ... -
The Crystal Structure of (E)-5-Phenyl-N-(thiophen-2-ylmethylene)-1,3,4-thiadiazole-2-amine.
Demirtas, Gunes; Dege, Necmi; Sekerci, Memet; Servi, Suleyman; Dincer, Muharrem (Int Union Crystallography, 2009)… -
DFT Calculations on the Molecular Structure, Vibrational and Chemical Shift Assignments of 4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2, 4-Dihydro-3H-1,2,4-Triazole-3-Thione
Avci, Davut; Atalay, Yusuf; Comert, Huseyin; Dincer, Muharrem (Springer Heidelberg, 2011)The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) H-1 and C-13 chemical shift values and several thermodynamic parameters of 4-allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-dihy ... -
(E)-5-Phenyl-N-(2-thienylmethylene)-1,3,4-thiadiazole-2-amine
Demirtas, Gunes; Dege, Necmi; Sekerci, Memet; Servi, Sueleyman; Dincer, Muharrem (Int Union Crystallography, 2009)In the title compound, C13H9N3S2, the thiophene and phenyl rings are oriented at dihedral angles of 8.00 (7) and 6.31 (7)degrees, respectively, with respect to the central thiadiazole ring. No significant C-H center dot ... -
An experimental and theoretical approach to molecular structure of 4-benzoyl-5-phenyl-1-p-methoxyphenyl-1H-pyrazole-3-carboxylic acid methanol solvate
Demir, Sibel; Dincer, Muharrem; Korkusuz, Elif; Yildirim, Ismail (Elsevier Science Bv, 2010)The title compound, 4-benzoyl-5-phenyl-1-p-methoxyphenyl-1H-pyrazole-3-carboxylic acid (C(24)H(18)N(2)-O(4)), was prepared from the reaction of 4-methoxyphenylhydrazine with 4-benzoyl-5-phenyl-2,3-dihy-dro-2,3-furandione, ... -
Experimental and theoretical investigation of the molecular and electronic structure of N '-benzylidene-N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-chloro-acetic acid hydrazide
Demir, Sibel; Dincer, Muharrem; Cukurovali, Alaaddin; Yilmaz, Ibrahim (Wiley, 2012)The title compound, N'-benzylidene-N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-chloro-acetic acid hydrazide, has been synthesized and characterized by elemental analysis, IR, 1H and 13C NMR, and X-ray single crystal ... -
An experimental and theoretical study on concomitant polymorphism of a dithiocarbonimidates derivate in a single space group
Inkaya, Ersin; Dincer, Muharrem; Sahan, Emine; Korkusuz, Elif; Yildirim, Ismail; Büyükgüngör, Orhan (Elsevier, 2013)The title organic dithiocarbonimidates derivate crystallizes in two different polymorphic modifications. The conformational differences between the two crystalline modifications lead to differences in crystal packing and ... -
Molecular structure and vibrational and chemical shift assignments of 3-(2-Hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-(4H)-thione by DFT and ab initio HF calculations
Avci, Davut; Atalay, Yusuf; Sekerci, Mehmet; Dincer, Muharrem (Pergamon-Elsevier Science Ltd, 2009)The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) H-1 and C-13 chemical shift values and several thermodynamic parameters of 3-(2-Hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-(4H)-thione ... -
Molecular structure and vibrational and chemical shift assignments of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione by DFT and ab initio HF calculations
Dincer, Muharrem; Avci, Davut; Sekerci, Mehmet; Atalay, Yusuf (Springer, 2008)The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) H-1 and C-13 chemical shift values and several thermodynamic parameters of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione ... -
Molecular structure and vibrational and chemical shift assignments of 6-(2-hydroxyethyl)-2,3,4-triphenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one by DFT and ab initio HF calculations
Demir, Sibel; Dincer, Muharrem; Sahan, Emine; Korkusuz, Elif; Yildirim, Ismail (Elsevier Science Bv, 2011)The molecular geometry, vibrational frequencies, gauge including atomic orbital (CIAO) H-1 and C-13 chemical shift values and several thermodynamic parameters of 6-(2-hydroxyethyl)-2,3,4-triphenyl-2,6-dihydro-7H-pyrazolo ... -
Molecular structure and vibrational bands and chemical shift assignments of 4-allyl-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione by DFT and ab initio HF calculations
Karakurt, Tuncay; Dincer, Muharrem; Cetin, Ahmet; Sekerci, Memet (Pergamon-Elsevier Science Ltd, 2010)The title molecule, 4-allyl-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (C11H11N3OS), was synthesized and characterized by IR-NMR spectroscopy and single-crystal X-ray diffraction. The compound crystallizes ...
