TY - JOUR
T1 - Synthesis, antimicrobial evaluation, crystal structure, Hirschfeld surface analysis and docking studies of 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid
AU - Geesi, Mohammed H.
AU - Riadi, Yassine
AU - Kaiba, Abdellah
AU - Ibnouf, Elmutasim O.
AU - Anouar, El Hassane
AU - Dehbi, Oussama
AU - Lazar, Saïd
AU - Guionneau, Philippe
N1 - Publisher Copyright:
© 2022
PY - 2022/10/5
Y1 - 2022/10/5
N2 - 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, C–H….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.
AB - 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, C–H….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.
KW - Antimicrobial activity, Docking
KW - Crystal structure
KW - Hirshfeld surface analysis
KW - Synthesis
UR - http://www.scopus.com/inward/record.url?scp=85131816036&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2022.133425
DO - 10.1016/j.molstruc.2022.133425
M3 - Article
AN - SCOPUS:85131816036
SN - 0022-2860
VL - 1265
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
M1 - 133425
ER -