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Crystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radical

หน่วยงาน Nanyang Technological University, Singapore

รายละเอียด

ชื่อเรื่อง : Crystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radical
นักวิจัย : Ibrahim, Mohammad M. , Al-Refai, Mahmoud , Dawoud, Jamal N. , Abu-El-Halawa, Rajab , Massad, Mohannad H. , Judeh, Zaher , Ali, Basem F.
คำค้น : DRNTU::Science::Medicine::Biomedical engineering , DRNTU::Science::Chemistry::Biochemistry
หน่วยงาน : Nanyang Technological University, Singapore
ผู้ร่วมงาน : -
ปีพิมพ์ : 2555
อ้างอิง : Ibrahim, 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. , 0970-7077 , http://hdl.handle.net/10220/25020 , http://www.asianjournalofchemistry.co.in/user/journal/viewarticle.aspx?ArticleID=24_7_21
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : Asian journal of chemistry
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

The 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.

บรรณานุกรม :
Ibrahim, Mohammad M. , Al-Refai, Mahmoud , Dawoud, Jamal N. , Abu-El-Halawa, Rajab , Massad, Mohannad H. , Judeh, Zaher , Ali, Basem F. . (2555). Crystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radical.
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Ibrahim, Mohammad M. , Al-Refai, Mahmoud , Dawoud, Jamal N. , Abu-El-Halawa, Rajab , Massad, Mohannad H. , Judeh, Zaher , Ali, Basem F. . 2555. "Crystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radical".
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Ibrahim, Mohammad M. , Al-Refai, Mahmoud , Dawoud, Jamal N. , Abu-El-Halawa, Rajab , Massad, Mohannad H. , Judeh, Zaher , Ali, Basem F. . "Crystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radical."
    กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2555. Print.
Ibrahim, Mohammad M. , Al-Refai, Mahmoud , Dawoud, Jamal N. , Abu-El-Halawa, Rajab , Massad, Mohannad H. , Judeh, Zaher , Ali, Basem F. . Crystal structure and density functional calculation of (E)-4-Hydroxy-3-methyl-N'- (thiophen-2-ylmethylene)-1,4-dihydroquinoxaline-2-carbohydrazide radical. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2555.