
%0 Journal Article
%A Lynch, DE 
%A Smith, G 
%A Calos, NJ 
%A Kennard, CHL 
%A Whittaker, AK 
%A Jack, KS 
%A Willis, AC 
%T Molecular Cocrystals of Carboxylic Acids. XIII. Spectral Characterization of the Adducts of Triphenylphosphine Oxide With Substituted Benzoic Acids and the Crystal Structures of the 1 : 1 Adducts With 2,4,6-Trinitrobenzoic Acid and 3,5-Dinitrobenzoic Acid
%J Australian Journal of Chemistry
%D 1993/10/01
%V 46
%N 10
%P 1535-1543
%K 
%R https://doi.org/10.1071/CH9931535
%U https://www.publish.csiro.au/paper/CH9931535 
%X The 1:1 adducts of triphenylphosphine oxide with the 2-, 3- and 4-nitro-, 3,5-dinitro-, and 2,4,6-trinitro-substituted benzoic acids have been prepared, and characterized by infrared and 31P n.m.r. spectroscopy. The crystal structures of two of these adducts, (triphenylphosphine oxide-3,5-dinitrobenzoic acid) and ( triphenylphosphine oxide-2,4,6-trinitrobenzoic acid), have been determined by X-ray diffraction. In all examples, the presence of single directed hydrogen bonds between the phosphoryl oxygen and the carboxylic acid proton is confirmed. For the X-ray structures, the O&#8230;O distances are 2.54(4) and 2.55(1)&#506; respectively. Solid-state 31P n.m.r. spectroscopy has also proved a convenient technique for the detection of the presence of a single conformational adduct type in cocrystals. 
