dc.contributor.authorIbrahim, Mohammad M.
dc.contributor.authorAl-Refai, Mahmoud
dc.contributor.authorDawoud, Jamal N.
dc.contributor.authorAbu-El-Halawa, Rajab
dc.contributor.authorMassad, Mohannad H.
dc.contributor.authorJudeh, Zaher
dc.contributor.authorAli, Basem F.
dc.date.accessioned2015-02-06T02:35:43Z
dc.date.available2015-02-06T02:35:43Z
dc.date.copyright2012en_US
dc.date.issued2012
dc.identifier.citationIbrahim, M. M., Al-Refai, M., Dawoud, J. N., Abu-El-Halawa, R., Massad, M. H., Judeh, Z., et al (2012). Crystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radical. Asian journal of chemistry, 24(7), 2926-2930.en_US
dc.identifier.issn0970-7077en_US
dc.identifier.urihttp://hdl.handle.net/10220/25020
dc.description.abstractThe compound (E)-4-Hydroxy-3-methyl-N'-(thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide (C15H13N4O2S) is a stable free radical quinoxaline derivative. It was prepared by treatment of an acidified ethanolic solution of 3-methyl-2-(thiophen-2-ylmethylenehydrazinocarbonyl)quinoxaline-4-oxide with a solution of CuSO4.5H2O. The crystal structure shows that the molecule contains non-planar linking unit between quinoxaline and thiophene rings. Hydrogen bonding (N-H…O), π…π stacking and S…S intermolecular interactions may be effective in the stabilization of the crystal lattice. Density functional theory results agree well with X-ray experimental findings indicating that the free radical is indeed possible and that the stability of this compound might be attributed to the highly electron delocalization of the conjugation system over the whole compound along with the extra stabilization from the intramolecular interactions.en_US
dc.language.isoenen_US
dc.relation.ispartofseriesAsian journal of chemistryen_US
dc.rights© 2012 Asian Journal of Chemistry.en_US
dc.subjectDRNTU::Science::Medicine::Biomedical engineering
dc.subjectDRNTU::Science::Chemistry::Biochemistry
dc.titleCrystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radicalen_US
dc.typeJournal Article
dc.contributor.schoolSchool of Chemical and Biomedical Engineeringen_US
dc.identifier.urlhttp://www.asianjournalofchemistry.co.in/user/journal/viewarticle.aspx?ArticleID=24_7_21


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