DFT Calculation, Hirshfeld Analysis and X-Ray Crystal Structure of Some Synthesized <i>N</i>-alkylated(<i>S</i>-alkylated)-[1,2,4]triazolo[1,5-<i>a</i>]quinazolines

DFT Calculation, Hirshfeld Analysis and X-Ray Crystal Structure of Some Synthesized <i>N</i>-alkylated(<i>S</i>-alkylated)-[1,2,4]triazolo[1,5-<i>a</i>]quinazolines

The present work aimed to synthesize 2-methylthio-triazoloquinazoline derivatives and study their X-ray, NMR, DFT and Hirshfeld characteristics. The cyclocondensation of dimethyl-<i>N</i>-cyanodithiocarbonate with 2-hydrazinobenzoic acid hydrochloride resulted in an intermediate, 2-methy...

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Bibliographic Details
Main Authors: Hatem A. Abuelizz, Saied M. Soliman, Hazem A. Ghabbour, Mohamed Marzouk, Mohamed M. Abdellatif, Rashad Al-Salahi
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Crystals
Subjects:
triazoloquinazoline
cyclocondensation
thionation
alkylation
X-ray
DFT
Online Access:https://www.mdpi.com/2073-4352/11/10/1195

Internet

https://www.mdpi.com/2073-4352/11/10/1195

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