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Synthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold
- 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.
- Subjects :
- fused heterocycle
triazole
thiadiazole
computational study
Crystallography
QD901-999
Subjects
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