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

Authors
Rodrigues, BL Tellgren, R Fernandes, NG
Citation
Bl. Rodrigues et al., Experimental electron density of urea-phosphoric acid (1/1) at 100 K, ACT CRYST B, 57, 2001, pp. 353-358
Citations number
33
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
ISSN journal
01087681 → ACNP
Volume
57
Year of publication
2001
Part
3
Pages
353 - 358
Database
ISI
SICI code
0108-7681(200106)57:<353:EEDOUA>2.0.ZU;2-I
Abstract
The deformation electron density of the urea-phosphoric acid adduct has bee n studied from 100 K X-ray and neutron diffraction experiments. Data were i nterpreted according to the Hirshfeld model. The long hydrogen bonds show c haracteristics of electrostatic interaction. Deformation density maps on th e short hydrogen bond shows hydrogen more strongly bonded to urea than to p hosphoric acid, and peak maxima at almost midway between the two O-H bonds.