X-ray Single Crystal Structure, Tautomerism Aspect, DFT, NBO, and Hirshfeld Surface Analysis of a New Schiff Bases Based on 4-Amino-5-Indol-2-yl-1,2,4-Triazole-3-Thione Hybrid

X-ray Single Crystal Structure, Tautomerism Aspect, DFT, NBO, and Hirshfeld Surface Analysis of a New Schiff Bases Based on 4-Amino-5-Indol-2-yl-1,2,4-Triazole-3-Thione Hybrid

Four different new Schiff basses tethered indolyl-triazole-3-thione hybrid were designed and synthesized. X-ray single crystal structure, tautomerism, DFT, NBO and Hirshfeld analysis were explored. X-ray crystallographic investigations with the aid of Hirshfeld calculations were used to analyze the...

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Bibliographic Details
Main Authors: Ahmed T. A. Boraei, Saied M. Soliman, Matti Haukka, El Sayed H. El Tamany, Abdullah Mohammed Al-Majid, Assem Barakat
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:Crystals
Subjects:
Schiff bases
indolyl-triazole-3-thione
tautomerism aspect
Hirshfeld Surface Analysis
Online Access:https://www.mdpi.com/2073-4352/11/9/1041

Internet

https://www.mdpi.com/2073-4352/11/9/1041

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