[en] Redetermination of the crystal structure of the title compound, C3H5NO2, leads to a precise geometry for this molecule that is compared with the conformation of several aryl-substituted oxazolidinones. Molecular cohesion is stabilized by hydrogen bonds between the amine and carbonyl groups. The coplanar approach of the NH group can be rationalized in terms of the ab initio calculated molecular electrostatic potential generated by the C=O group.
Disciplines :
Chemistry
Author, co-author :
Wouters, Johan; Lab. de Chim. Molec. Structurale, Fac. Notre-Dame de la Paix, B-5000 Namur, Belgium
Ooms, Frédéric ; Université de Liège - ULiège > HEC Liège Research > HEC Liège Research: Strategy & Performance for the Society ; Lab. de Chim. Molec. Structurale, Fac. Notre-Dame de la Paix, B-5000 Namur, Belgium
Durant, Francois; Lab. de Chim. Molec. Structurale, Fac. Notre-Dame de la Paix, B-5000 Namur, Belgium
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