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The statistical analysis of hydrogen-bond interactions formed by oximes and carboxylic acids has been performed. Ab initio quantum-chemical calculations have been used to rationalize the observed preference for the oxime-carboxyl interaction compared with homologous binding (carboxyl-carboxyl and oxime-oxime). The crystal packing observed in the structure of pyruvic acid oxime (hydroxyiminopyruvic acid) has been explained as the consequence of a combination of the energetically optimal structure of the isolated molecule and the optimal interaction of monomers forming a dimer.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks global, w15j3

CCDC reference: 132035

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