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Synthesis, antimicrobial evaluation, crystal structure, Hirschfeld surface analysis and docking studies of 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid

hal.structure.identifierPrince Sattam Bin Abdul-Aziz University [PSAU]
dc.contributor.authorGEESI, Mohammed
hal.structure.identifierPrince Sattam Bin Abdul-Aziz University [PSAU]
dc.contributor.authorRIADI, Yassine
hal.structure.identifierPrince Sattam Bin Abdul-Aziz University [PSAU]
dc.contributor.authorKAIBA, Abdellah
hal.structure.identifierDepartment of Medical Microbiology
hal.structure.identifierPrince Sattam Bin Abdul-Aziz University [PSAU]
dc.contributor.authorIBNOUF, Elmutasim
hal.structure.identifierPrince Sattam Bin Abdul-Aziz University [PSAU]
dc.contributor.authorANOUAR, El Hassane
hal.structure.identifierÉcole Supérieure en Ingénierie d'information, Télécommunication, Management et Génie Civil [ESTEM]
dc.contributor.authorDEHBI, Oussama
hal.structure.identifierLaboratoire de Biochimie, Environnement and Agroalimentaire [URAC 36]
dc.contributor.authorLAZAR, Saïd
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGUIONNEAU, Philippe
dc.date.issued2022
dc.identifier.issn0022-2860
dc.description.abstractEnThe synthesis of a new 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid from available reagents using an efficient strategy was reported, and its antimicrobial ability against bacterial strains was investigated. This new compound was characterised using a single crystal technique, which showed that the compound crystallised with a monoclinic system in a P21/c space group. Its unit-cell parameters were a = 17.0692 (2) Å, b = 5.0326 (3) Å, c = 17.2979 (4) Å, β = 106.596° (2) and Z = 4. Crystal packing was stabilised by hydrogen bonds, pi- stacking, Csingle bondH….pi and van der Waals interactions. The intermolecular interaction analysis of the crystal structure was affected by Hirschfeld surface analysis, and associated two-dimensional fingerprint plots were utilised. In addition, docking investigations of the biological activity of the synthesised compound was also performed.
dc.language.isoen
dc.publisherElsevier
dc.subject.enSynthesis
dc.subject.enDocking
dc.subject.enAntimicrobial activity
dc.subject.enCrystal structure
dc.subject.enHirshfeld surface analysis
dc.title.enSynthesis, antimicrobial evaluation, crystal structure, Hirschfeld surface analysis and docking studies of 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid
dc.typeArticle de revue
dc.identifier.doi10.1016/j.molstruc.2022.133425
dc.subject.halChimie/Chimie thérapeutique
dc.subject.halChimie/Cristallographie
bordeaux.journalJournal of Molecular Structure
bordeaux.page133425
bordeaux.volume1265
bordeaux.peerReviewedoui
hal.identifierhal-03713531
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03713531v1
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