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

Marta Pérez-Torralba, Rosa M. Claramunt, M. Ángeles García, Concepción López, M. Carmen Torralba, M. Rosario Torres, Ibon Alkorta and José Elguero
Beilstein J. Org. Chem. 2013, 9, 2156–2167. https://doi.org/10.3762/bjoc.9.253

Supporting Information

Variable temperature 1H NMR spectra, 13C, 15N, 19F solid state NMR spectra; Table S1 containing calculated and some experimental 1H, 13C and 15N chemical shifts (δ, ppm) of compounds 3a to 6a; Geometry (Å), energy (hartree) and number of imaginary frequencies of the different tautomers calculated at the B3LYP/6-311++G(d,p) computational level.

Supporting Information File 1: Additional material.
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Cite the Following Article

Structure of 1,5-benzodiazepinones in the solid state and in solution: Effect of the fluorination in the six-membered ring
Marta Pérez-Torralba, Rosa M. Claramunt, M. Ángeles García, Concepción López, M. Carmen Torralba, M. Rosario Torres, Ibon Alkorta and José Elguero
Beilstein J. Org. Chem. 2013, 9, 2156–2167. https://doi.org/10.3762/bjoc.9.253

How to Cite

Pérez-Torralba, M.; Claramunt, R. M.; Ángeles García, M.; López, C.; Torralba, M. C.; Rosario Torres, M.; Alkorta, I.; Elguero, J. Beilstein J. Org. Chem. 2013, 9, 2156–2167. doi:10.3762/bjoc.9.253

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