ELECTRON DENSITY OF PARACETAMOL METASTABLE POLYMORPH, TOPOLOGYCAL H-BONDS ANALYSIS
The material was received by the Editorial Board: 18.03.2013
The experimental electron density of paracetamol metastable polymorph (orthorhombic, Pbca) was derived from highresolution X-ray diffraction at 100 K. The multipole model was used to refine electron density and for experimental analysis of the features of the critical points for orthorhombic modification. Geometrical H-bonds features were obtained from spherical and multipole models. The current study provides topological H-bonds analysis in orthorhombic paracetamol compared with stable monoclinic paracetamol polymorphs in normal conditions. Keywords:
high-resolution X-ray diffraction, electron density, paracetamol, multipole model, H-bonds.
УДК 548.737
ELECTRON DENSITY OF PARACETAMOL METASTABLE POLYMORPH, TOPOLOGYCAL H-BONDS ANALYSIS References: Druzhbin D. A., Drebushchak T. N., Boldyreva E. V. ELECTRON DENSITY OF PARACETAMOL METASTABLE POLYMORPH, TOPOLOGYCAL H-BONDS ANALYSIS. Vestnik NSU. Series: Physics. 2013, vol. 8, no. 2. P. 109–116 (in Russ.). DOI: 10.54362/1818-7919-2013-8-2-109-116