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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
Boraei, Ahmed T. A.; Soliman, Saied M.; Haukka, Matti; El Tamany, El Sayed H.; Al-Majid, Abdullah Mohammed; Barakat, Assem (MDPI AG, 2021)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 ... -
X-Ray structure, Hirshfeld analysis and DFT studies of two new hits of triazolyl-indole bearing alkylsulfanyl moieties
Boraei, Ahmed T.A.; Soliman, Saied M.; Haukka, Matti; Barakat, Assem (Elsevier BV, 2021)Two new hits of triazolyl-indole containing two different alkylsulfanyl analogues named tert-butyl 2-((4-amino-5-(1H-indol-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate 2, and ethyl 2-((4-amino-5-(1H-indol-2-yl)-4H-1,2,4-tria ... -
Synthesis of Unexpected Dimethyl 2-(4-Chlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate via Hydrolysis/Cycloaddition/Elimination Cascades : Single Crystal X-ray and Chemical Structure Insights
Altowyan, Mezna Saleh; Soliman, Saied M.; Haukka, Matti; Al-Shaalan, Nora H.; Alkharboush, Aminah A.; Barakat, Assem (MDPI AG, 2022)Hydrolysis/[3 + 2] cycloaddition/elimination cascades employed for the synthesis of unexpected tricyclic compound derived from isoquinoline. Reaction of ethylene derivative 1 with the isoquinoline ester iminium ion 2 in ... -
Synthesis of Enaminones-Based Benzo[d]imidazole Scaffold : Characterization and Molecular Insight Structure
Alshahrani, Saeed; Soliman, Saied M.; Alamary, Abdullah Saleh; Al-Majid, Abdullah Mohammed; Haukka, Matti; Yousuf, Sammer; Barakat, Assem (MDPI AG, 2020)(E)-1-(1H-Benzo[d]imidazol-2-yl)-3-(dimethylamino)prop-2-en-1-one 2 was synthesized by one-pot synthesis protocol of 2-acetyl benzo[d]imidazole with dimethylformamide dimethylacetal (DMF-DMA) in xylene at 140 °C for 8 h. ... -
Synthesis and X-ray Crystal Structure Analysis of Substituted 1,2,4-Triazolo [4’,3’:2,3]pyridazino[4,5-b]indole and Its Precursor
Boraei, Ahmed T. A.; Eltamany, Elsayed H.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sopaih, Manar (MDPI AG, 2023)The hit compound 1,2,4-triazolo[4’,3’:2,3]pyridazino[4,5-b]indole 3 was synthesized from the reflux of 4-amino-5-indolyl-1,2,4-triazole-3-thione 1 with 4′-bromoacetophenone 2 in methanol catalyzed by concentrated HCl and ...