0000000001320994
AUTHOR
Monika Olesiejuk
π-Electron delocalization in 2-benzoyl-5-phenylpyrazolidin-3-one
Abstract The crystal and molecular structures of 2-benzoyl-5-phenylpyrazolidin-3-one have been characterized by X-ray diffraction along with density functional theory studies. Cinnamic acid chloride was reacted with benzhydrazide, yielding 2-benzoyl-5-phenylpyrazolidin-3-one. This product was formed in the transformation comprising the nucleophilic addition of benzhydrazide to the styryl fragment of the α,β-unsaturated arrangement and subsequent cyclization. The molecule contains two benzene rings and one five-membered heterocyclic ring with an N–N single bond. The five-membered ring is composed of three atoms of sp 3 hybridization and two atoms of sp 2 hybridization, which cause the flatte…
CCDC 1520500: Experimental Crystal Structure Determination
Related Article: Monika Olesiejuk, Agnieszka Kudelko, Katarzyna Gajda, Błażej Dziuk, Krzysztof Ejsmont|2018|Z.Naturforsch.,B:Chem.Sci.|73|577|doi:10.1515/znb-2018-0072