Experimental and theoretical studies of 4-[(4-methyl-5-phenyl- 4H1,2,4-triazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile

Experimental and theoretical studies of 4-[(4-methyl-5-phenyl- 4H1,2,4-triazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile

In this study, 4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile was synthesized and its molecular structure was characterized by means of FT-IR and X-ray diffraction methods. The crystal is monoclinic and belongs to the P21/n space group. There are three weak intermole...

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Bibliographic Details
Main Authors: Ufuk Çoruh, Reşat Ustabaş, Hakkı Türker Akçay, Emra Menteşe, Ezequiel M. Vazquez Lopez
Format: Article
Language:English
Published: Society of Chemists and Technologists of Macedonia 2016-12-01
Series:Macedonian Journal of Chemistry and Chemical Engineering
Subjects:
crystal structure
1,2,4-triazole
dft calculations
molecular electrostatic potential
frontier orbitals.
Online Access:https://mjcce.org.mk/index.php/MJCCE/article/view/836

Internet

https://mjcce.org.mk/index.php/MJCCE/article/view/836

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