Structure of 1,5-benzodiazepinones in the solid state and in solution: Effect of the fluorination in the six-membered ring

Structure of 1,5-benzodiazepinones in the solid state and in solution: Effect of the fluorination in the six-membered ring

Two novel tetrafluorinated 1,5-benzodiazepinones were synthesized and their X-ray structures determined. 6,7,8,9-Tetrafluoro-4-methyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one crystallizes in the monoclinic P21/c space group and 6,7,8,9-tetrafluoro-1,4-dimethyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one in...

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Bibliographic Details
Main Authors: Marta Pérez-Torralba, Rosa M. Claramunt, M. Ángeles García, Concepción López, M. Carmen Torralba, M. Rosario Torres, Ibon Alkorta, José Elguero
Format: Article
Language:English
Published: Beilstein-Institut 2013-10-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
benzodiazepinones
DFT
GIAO calculations
inversion barriers
multinuclear NMR
tautomerism
X-ray structures
Online Access:https://doi.org/10.3762/bjoc.9.253

Internet

https://doi.org/10.3762/bjoc.9.253

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