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Synthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold

Authors :
Mezna Saleh Altowyan
Matti Haukka
Saied M. Soliman
Assem Barakat
Saleh O. Alaswad
Ahmed T. A. Boraei
Emad M. Gad
Mohamed F. Youssef
Source :
Crystals, Vol 13, Iss 3, p 423 (2023)
Publication Year :
2023
Publisher :
MDPI AG, 2023.

Abstract

The present synthetic strategy involves the synthesis of indolyl-triazolo-thiadiazole heterocyclic ring systems 8–13 from the condensation of 4-amino-5-(1H-indol-2-yl)-3H-1,2,4-triazole-3-thione 1 with the aromatic carboxylic acid derivatives 2–7 in presence of POCl3 for 1 h. All compounds were obtained in very good yields and have been well-characterized using spectroscopic techniques. Exclusively, good quality crystals from the target organic hybrid 8-(1H-indol-2-yl)-5-(p-tolyl)-[1,2,4]triazolo [3,4-b][1,3,4]thiadiazole 9 were obtained and found suitable for X-ray single crystal diffraction measurement, which is used to confirm and analyze the molecular and supramolecular structure aspects of 9. The solid-state structure of the synthesized molecule 9 agrees very well with other characterizations. The packing of 9 is dominated by the N…H, S…H, C…C and S…C non-covalent interactions, which agree with the Hirshfeld surface analysis. The percentages of these contacts are calculated to be 20.3%, 5.4%, 9.4% and 4.3%, respectively.

Details

Language :
English
ISSN :
20734352
Volume :
13
Issue :
3
Database :
Directory of Open Access Journals
Journal :
Crystals
Publication Type :
Academic Journal
Accession number :
edsdoj.096492ab00c24feb8e1656fc9cc136e5
Document Type :
article
Full Text :
https://doi.org/10.3390/cryst13030423