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Crystal structure and mol-ecular docking study of diethyl 2,2'-({[(1E,1'E)-(hydrazine-1,2-diyl-idene)bis-(methanylyl-idene)]bis-(4,1-phenyl-ene)}bis-(-oxy))di-acetate.

ABSTRACT: The title Schiff base, C₂₂H₂₄N₂O₆, adopts an E configuration. The mol-ecule 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, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds into chains extending along the c-axis and b-axis directions, respectively. A mol-ecular docking study between the title mol-ecule 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.

SUBMITTER: Daoui S

PROVIDER: S-EPMC8739207 | biostudies-literature |

REPOSITORIES: biostudies-literature

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