Number of the records: 1
On the solid-state NMR spectra of naproxen
- 1.0439621 - ÚMCH 2015 RIV NL eng J - Journal Article
Czernek, Jiří
On the solid-state NMR spectra of naproxen.
Chemical Physics Letters. Roč. 619, 5 January (2015), s. 230-235. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA ČR(CZ) GA14-03636S
Institutional support: RVO:61389013
Keywords : pharmaceuticals * NMR crystallography
Subject RIV: CD - Macromolecular Chemistry
Impact factor: 1.860, year: 2015
Two previous measurements of the 13C and 1H NMR isotropic chemical shifts in crystalline naproxen, which is an important pharmaceutical compound, are confronted with the results obtained from several theoretical approaches capable of the proper treatment of solid-phase effects. In the underlying geometrical optimizations, two crystal structures are considered. The agreement between the data sets is quantified, including an evaluation of the similarity between the experimental solid-state NMR spectra. The 13C–1H heteronuclear correlations are analyzed, and their various assignments are discussed employing the statistical treatment of the differences between the measured and theoretical isotropic chemical shifts.
Permanent Link: http://hdl.handle.net/11104/0244672
Number of the records: 1