A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Synthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold (2023)

Altowyan, M. S., Haukka, M., Soliman, S. M., Barakat, A., Alaswad, S. O., Boraei, A. T. A., Gad, E. M., & Youssef, M. F. (2023). Synthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold. Crystals, 13(3), Article 423. https://doi.org/10.3390/cryst13030423

JYU-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Altowyan, Mezna Saleh; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Alaswad, Saleh O.; Boraei, Ahmed T. A.; Gad, Emad M.; Youssef, Mohamed F.

Lehti tai sarja: Crystals

eISSN: 2073-4352

Julkaisuvuosi: 2023

Ilmestymispäivä: 01.03.2023

Volyymi: 13

Lehden numero: 3

Artikkelinumero: 423

Kustantaja: MDPI AG

Julkaisumaa: Sveitsi

Julkaisun kieli: englanti

DOI: https://doi.org/10.3390/cryst13030423

Julkaisun avoin saatavuus: Avoimesti saatavilla

Julkaisukanavan avoin saatavuus: Kokonaan avoin julkaisukanava

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/86000

Tiivistelmä

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.

YSO-asiasanat: kemia; laskennallinen kemia; orgaaninen kemia; orgaaniset yhdisteet

Vapaat asiasanat: fused heterocycle; triazole; thiadiazole; computational study

Liittyvät organisaatiot

OKM-raportointi: Kyllä

Raportointivuosi: 2023

Alustava JUFO-taso: 1