Experimental charge density of N-phenylurea

Urea and its derivatives have been the subject of extensive experimental and theoretical studies, using many techniques, mainly because of interesting physical and chemical properties [1-4]. Here we report a preliminary results of charge density study of N-phenylurea using synchrotron diffraction data collected at beamline F1 at HASYLAB/DESY. Although known from literature [1], the structure was resolved and refined with SHELX-97 program package [5]. Then, spherical model was used as input for multipole modelling [6] (see Figure 1). Table 1 gives a comparison of topological properties at the bond critical points for C=O and CN bonds of urea moiety.