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Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenylmethylene)- oxazol-5-one

Date

2011

Author

Sevinçek R.
Öztürk G.
Aygün M.
Alp S.
Büyükgüngör, Orhan

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Abstract

A novel oxazole-5-one derivative 2-o-tolyl-4-(3-N,N- dimethylaminophenylmethylene)-oxazol-5-one (TDPO) C19H 18N2O2 is synthesized and characterized and the crystal structure is determined by X-ray crystallography. TDPO is monoclinic in the P21/c space group. The molecule adopts the Z configuration. To enlighten the flexibility of TDPO, the selected torsion angle is varied from -180° to 180° in each 10° separately, and the molecular energy profile is calculated and analyzed by density functional calculations. In addition, Bader's QTAIM analysis is performed to investigate the intramolecular weak interactions. © 2011 by R. Sevinçek, G. Öztürk, M. Aygün, S. Alp, and O. Büyükgüngör.

Source

Journal of Structural Chemistry

Volume

52

Issue

2

URI

https://doi.org/10.1134/S0022476611020247
https://hdl.handle.net/20.500.12712/4705

Collections

  • Scopus İndeksli Yayınlar Koleksiyonu [14046]



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