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Research data for "Structure and Physicochemical Characterisation of a Naproxen-Picolinamide Cocrystal" Open Access

Naproxen (NPX) is a nonsteroidal anti-inflammatory drug with pain- and fever- relieving properties, currently marketed in the sodium salt form to overcome solubility problems; however, alternative solutions for improving its solubility across all pH values are desirable. NPX is suitable for cocrystal formation, with hydrogen-bonding possibilities via the COOH group. The crystal structure is presented of a 1:1 cocrystal of NPX with picolinamide as a coformer. The pharmaceutically relevant physical properties were investigated and the intrinsic dissolution rate was found to be essentially the same as that of commercial naproxen. An NMR crystallography approach was used to investigate the H-atom positions in the two crystallographically unique COOH–CONH hydrogen-bonded dimers. 1H solid-state NMR distinguished the two carboxyl protons, despite the very similar crystallographic environments. The nature of the hydrogen bonding was confirmed by solid-state NMR and density functional theory calculations

Descriptions

Resource type

Dataset

Contributors

Creator: Kerr, Hannah E. ¹
Contact person: Hodgkinson, Paul ¹

¹ Durham University, UK

Funder

EPSRC (DTG)

Research methods

Other description

Keyword

naproxen
picolinamide
cocrystal
NMR crystallography
first-principles calculation
hydrogen bonding
crystal structure
pharmaceuticals

Subject

Drugs
Crystallography
Nuclear magnetic resonance spectroscopy
X-rays--Diffraction
Hydrogen bonding

Location

Language

English

Cited in

doi:10.1107/S2053229616011980

Identifier

ark:/32150/r15x21tf407
doi:10.15128/r15x21tf407

Rights

Creative Commons Attribution 4.0 International (CC BY)

Publisher

Durham University

Date Created

2016-07-20

File Details

Depositor

P. Hodgkinson

Date Uploaded

25 July 2016, 13:07:44

Date Modified

29 July 2016, 11:07:12

Audit Status

Audits have not yet been run on this file.

Characterization

File format: zip (ZIP Format)

Mime type: application/zip

File size: 1346391

Last modified: 2016:07:25 14:18:48+01:00

Filename: NPX-PA data.zip

Original checksum: 83b40914538e65377499c0c0a2c8c215