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Elsevier, Journal of Molecular Structure, 1-3(478), p. 81-91

DOI: 10.1016/s0022-2860(98)00658-9

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A structural study of pyrazole-1-carboxamides by X-ray crystallography and 13C CPMAS NMR spectroscopy

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This paper is available in a repository.

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Abstract

The crystal structures of the first two pyrazole N-substituted primary amides (3-methyl and 4-bromo) were determined. The amide groups from the R22 (8) hydrogen-bond dimeric pattern in all cases, in accordance with the higher rate found for the formation of this pattern in monosubstituted benzamides (81%) compared with the whole group of primary amide structures (34%). These two compounds and four other N-CONH2 pyrazoles were studied by solid state NMR (CPMAS technique).