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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.identifier | Prince Sattam Bin Abdul-Aziz University [PSAU] | |
dc.contributor.author | GEESI, Mohammed | |
hal.structure.identifier | Prince Sattam Bin Abdul-Aziz University [PSAU] | |
dc.contributor.author | RIADI, Yassine | |
hal.structure.identifier | Prince Sattam Bin Abdul-Aziz University [PSAU] | |
dc.contributor.author | KAIBA, Abdellah | |
hal.structure.identifier | Department of Medical Microbiology | |
hal.structure.identifier | Prince Sattam Bin Abdul-Aziz University [PSAU] | |
dc.contributor.author | IBNOUF, Elmutasim | |
hal.structure.identifier | Prince Sattam Bin Abdul-Aziz University [PSAU] | |
dc.contributor.author | ANOUAR, El Hassane | |
hal.structure.identifier | École Supérieure en Ingénierie d'information, Télécommunication, Management et Génie Civil [ESTEM] | |
dc.contributor.author | DEHBI, Oussama | |
hal.structure.identifier | Laboratoire de Biochimie, Environnement and Agroalimentaire [URAC 36] | |
dc.contributor.author | LAZAR, Saïd | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | GUIONNEAU, Philippe | |
dc.date.issued | 2022 | |
dc.identifier.issn | 0022-2860 | |
dc.description.abstractEn | The 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.iso | en | |
dc.publisher | Elsevier | |
dc.subject.en | Synthesis | |
dc.subject.en | Docking | |
dc.subject.en | Antimicrobial activity | |
dc.subject.en | Crystal structure | |
dc.subject.en | Hirshfeld surface analysis | |
dc.title.en | Synthesis, antimicrobial evaluation, crystal structure, Hirschfeld surface analysis and docking studies of 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1016/j.molstruc.2022.133425 | |
dc.subject.hal | Chimie/Chimie thérapeutique | |
dc.subject.hal | Chimie/Cristallographie | |
bordeaux.journal | Journal of Molecular Structure | |
bordeaux.page | 133425 | |
bordeaux.volume | 1265 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-03713531 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-03713531v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Molecular%20Structure&rft.date=2022&rft.volume=1265&rft.spage=133425&rft.epage=133425&rft.eissn=0022-2860&rft.issn=0022-2860&rft.au=GEESI,%20Mohammed&RIADI,%20Yassine&KAIBA,%20Abdellah&IBNOUF,%20Elmutasim&ANOUAR,%20El%20Hassane&rft.genre=article |
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