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Crystal structure and mol­ecular docking study of diethyl 2,2′-({[(1E,1′E)-(hydrazine-1,2-diyl­idene)bis­(methanylyl­idene)]bis­(4,1-phenyl­ene)}bis­(­oxy))di­acetate

The title Schiff base, C(22)H(24)N(2)O(6), adopts an E configuration. The mol­ecule is planar, the mean planes of the phenyl ring system (r.m.s deviation = 0.0059 Å) forms a dihedral angle of 0.96 (4)° with the mean plane of the phenyl ring moiety (r.m.s deviation = 0.0076 Å). In the crystal, mol­ec...

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Detalles Bibliográficos
Autores principales: Daoui, Said, Kansiz, Sevgi, Aktas, Feyzi Alkim, Dege, Necmi, Saif, Eiad, Benchat, Noureddine, Karrouchi, Khalid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8739207/
https://www.ncbi.nlm.nih.gov/pubmed/35079432
http://dx.doi.org/10.1107/S205698902101344X
Descripción
Sumario:The title Schiff base, C(22)H(24)N(2)O(6), adopts an E configuration. The mol­ecule is planar, the mean planes of the phenyl ring system (r.m.s deviation = 0.0059 Å) forms a dihedral angle of 0.96 (4)° with the mean plane of the phenyl ring moiety (r.m.s deviation = 0.0076 Å). In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O and C—H⋯N hydrogen bonds into chains extending along the c-axis and b-axis directions, respectively. A mol­ecular docking study between the title mol­ecule and 5-HT2C, which is a G protein receptor and ligand-gated ion channels found in nervous systems (PDB ID: 6BQH) was executed. The experiment shows that it is a good potential agent because of its affinity and ability to stick to the active sites of the receptor.