Acta Crystallographica Section B

Structural Science

Volume 57, Part 3 (June 2001)

research papers

Acta Cryst. (2001). B57, 353-358 [ doi:10.1107/S0108768101004359 ]

Experimental electron density of urea-phosphoric acid (1/1) at 100 K

B. L. Rodrigues, R. Tellgren and N. G. Fernandes

Abstract: The deformation electron density of the urea-phosphoric acid adduct has been studied from 100 K X-ray and neutron diffraction experiments. Data were interpreted according to the Hirshfeld model. The long hydrogen bonds show characteristics of electrostatic interaction. Deformation density maps on the short hydrogen bond shows hydrogen more strongly bonded to urea than to phosphoric acid, and peak maxima at almost midway between the two O-H bonds.

Keywords: electron density; hydrogen bonding; urea-phosphoric acid.