Crystal structure of isobutyramide and comparison with its conformation in chloroform solution as observed from lanthanide-induced nuclear magnetic resonance shifts
- 1 January 1978
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 2,p. 168-171
- https://doi.org/10.1039/p29780000168
Abstract
The crystal structure of isobutyramide has been determined by X-ray diffraction. Crystals are monoclinic, space group P21/c, with a= 10.356(6), b= 5.990(4), c= 9.663(6)Å, β= 108.10(5)°, Z= 4. The structure was solved by direct methods and refined to R 7.6%. In the crystal, the C–H bond is anti to the CO bond, with H–C–CO 180°. In solution, the lanthanide-induced n.m.r. spectra show that the anti- and the syn-conformations of the amide group are both present.Keywords
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