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

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