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PM3 semiempirical study and its comparison with X-ray crystal structure of 4-[2-methyl-4-(4-methoxyphenylazo)] phenoxyphtalonitrile 

Iskeleli, Nazan Ocak; Karabiyik, Hasan; Albayrak, Cigdem; Petek, Hande; Agar, Erbil (Springer/Plenum Publishers, 2006)
The molecular and crystal structures of the title compound, C22H16N4O2, were determined by single crystal X-ray diffraction technique. The title compound crystallizes in monoclinic space group P1 2 (1) /n1, with a=12.7811(9) ...

(Z)-6-[(2-Fluorophenyliminio)methylene]2,3-dihydroxyphenolate 

Petek, Hande; Albayrak, Cigdem; Agar, Erbil; Kalkan, Huseyin (Int Union Crystallography, 2006)
The title compound, C13H10FNO3, crystallizes in a zwitterionic form. The dihedral angle between the aromatic rings is 21.69 (9)degrees. O-H center dot center dot center dot O hydrogen bonds generate a centrosymmetric ...

PM3 semiempirical study and its comparison with X-ray crystal structure of 2-methyl-4-(4-methoxyphenylazo)phenol 

Iskeleli, Nazan Ocak; Karabiyik, Hasan; Albayrak, Cigdem; Petek, Hande; Agar, Erbil (Springer/Plenum Publishers, 2006)
The crystal and molecular structure of 2-methyl-4-(4-methoxyphenylazo)phenol have been determined by X-ray single crystal diffraction technique. The compound crystallizes in the monoclinic space group P2(1)/c with a=9.7763(8) ...

Pyridin-4-ol-hydroquinone (1/1) 

Kartal, Asli; Albayrak, Cigdem; Iskeleli, Nazam Ocak; Agar, Erbil; Erdonmez, Ahmet (Int Union Crystallography, 2007)
In the title compound, C6H6O2 center dot 2C(5)H(5)NO, there is one pyridin-4-ol and half a hydroquinone molecule in the asymmetric unit; the hydroquinone molecule lies on an inversion center. The crystal structure is ...

Microwave-assisted synthesis and characterization of the monomeric phthalocyanines containing naphthalene-amide group moieties and the polymeric phthalocyanines containing oxa-aza bridge 

Ozil, Musa; Agar, Erbil; Sasmaz, Selami; Kahveci, Bahittin; Akdemir, Nesuhi; Gumrukcuoglu, Ismail Erdem (Elsevier Sci Ltd, 2007)
New naphthalene-amide substituted phthalocyanines and oxa-aza bridge polymeric phthalocyanines were prepared by conventional and microwave methods. The chlorides of Cu(I), Ni(II) and Co(II) were employed in order to ...

(E)-2-acetyl-4-(phenyldiazenyl) phenol 

Iskeleli, Nazan Ocak; Albayrak, Cigdem; Agar, Erbil (Int Union Crystallography, 2006)
The molecule of the title compound, C14H12N2O2, is nearly planar and displays a trans configuration with respect to the N=N double bond, as found for other diazene derivatives. There is an intramolecular O-H center dot ...

(E)-4-[(4-chlorophenyl)diazenyl]-2-isopropylphenol 

Atalay, Sehriman; Petek, Hande; Iskeleli, Nazan Ocak; Agar, Erbil (Int Union Crystallography, 2006)
In the title compound, C15H15ClN2O, the aromatic rings adopt a trans configuration with respect to the N = N bond, as found for other diazene derivatives. The crystal structure is stabilized by intermolecular O - H center ...

Anchor Effect on Pedal Motion Observed in Crystal Phase of an Azobenzene Derivative 

Karabiyik, Hasan; Petek, Hande; Iskeleli, Nazan Ocak; Albayrak, Cigdem; Agar, Erbil (Springer/Plenum Publishers, 2011)
Some molecules having a molecular skeleton similar to that of stilbenes and azobenzenes show orientational disorder in the crystals due to pedal motion. Heretofore, the orientational disorder through pedal motion has been ...

Experimental and Semi-empirical and DFT Calculational Studies on (E)-2-(1-(2-(4-methylphenylsulfonamido)ethyliminio)ethyl)phenolate. 

Alpaslan, Gokhan; Agar, Erbil; Ersahin, Ferda; Isik, Samil; Erdonmez, Ahmet (Int Union Crystallography, 2009)
…

Crystal structure and DFT calculations of 2-napthalenecarboxamide,3 hydroxy-N(2-methylphenyi) 

Erdonmez, Ahmet; Baba, Sibel A.; Agar, Erbil; Coruh, Ufuk (Int Union Crystallography, 2015)
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Agar, Erbil (89)
Ersahin, Ferda (28)Isik, Samil (17)Albayrak, Cigdem (15)Dege, Necmi (15)Tanak, Hasan (15)Büyükgüngör, Orhan (13)Iskeleli, Nazan Ocak (10)Erdonmez, Ahmet (9)Petek, Hande (9)... Daha FazlaKonucrystal structure (18)Schiff base (18)DFT (9)PM3 (6)X-ray diffraction (6)Hirshfeld surface analysis (5)hydrogen bonding (5)conformational analysis (4)NLO (3)Phthalocyanine (3)... Daha FazlaYayın Tarihi2010 - 2020 (42)2004 - 2009 (47)Tam Metin DurumuTam Metni Olmayanlar (89)

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