@article{fdi:010070988, title = {{N}itroxide stable radicals interacting as {L}ewis bases in hydrogen bonds : a search in the {C}ambridge structural data base for intermolecular contacts}, author = {{A}lkorta, {I}. and {E}lguero, {J}. and {E}lguero, {E}ric}, editor = {}, language = {{ENG}}, abstract = {1125 {X}-ray structures of nitroxide free radicals presenting intermolecular hydrogen bonds have been reported in the {C}ambridge {S}tructural {D}atabase. {W}e will report in this paper a qualitative and quantitative analysis of these bonds. {T}he observation in some plots of an excluded region was statistically analyzed using convex hull and kernel smooting methodologies. {A} theoretical study at the {MP}2 level with different basis has been carried out indicating that the nitronyl nitroxide radicals (five electrons) lie just in between nitroso compounds (four electrons) and amine {N}-oxides (six electrons) as far as hydrogen-bond basicity is concerned.}, keywords = {{N}itroxide radicals ; {H}ydrogen bonds ; {E}xcluded region ; {CSD} ; {MP}2 calculations}, booktitle = {}, journal = {{J}ournal of {M}olecular {S}tructure}, volume = {1148}, numero = {}, pages = {150--161}, ISSN = {0022-2860}, year = {2017}, DOI = {10.1016/j.molstruc.2017.06.101}, URL = {https://www.documentation.ird.fr/hor/fdi:010070988}, }