Crystal structure and molecular docking study of diethyl 2,200-({[(1E,100E)-(hydrazine-1,2-diylidene)-bis(methanylylidene)]bis(4,1-phenylene)}bis(oxy))-diacetate

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Daoui S., KANSIZ S., AKTAŞ F. A., Dege N., Saif E., Benchat N., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.78, ss.88-91, 2022 (Scopus)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 78
• Basım Tarihi: 2022
• Doi Numarası: 10.1107/s205698902101344x
• Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
• Derginin Tarandığı İndeksler: Scopus
• Sayfa Sayıları: ss.88-91
• Anahtar Kelimeler: Crystal structure, Hydrazine, Molecular docking, Schiff base
• Samsun Üniversitesi Adresli: Evet

Özet

The title Schiff base, C22H24N2O6, 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.