Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state.

Weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl, for which single-crystal diffraction structures reveal close CH...O=C and C[triple bond]CH...N[triple bond]C distances, is investigated in a study that combines the experimental determination of 1H, 13C, and 15N chemical shifts by...

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Bibliographic Details
Main Authors: Uldry, A, Griffin, J, Yates, JR, Pérez-Torralba, M, María, MD, Webber, A, Beaumont, M, Samoson, A, Claramunt, R, Pickard, C, Brown, S
Format: Journal article
Language:English
Published: 2008