期刊
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
卷 71, 期 -, 页码 653-+出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2053229615012826
关键词
mesitylenesulfonamide; benzenesulfonamide; cocrystal; salt; crystal structure; pharmaceutically active ingredients; salt-cocrystal continuum; IR spectroscopy
资金
- China Scholarship Council
In the solid obtained from N-(6-methylpyridin-2-yl) mesitylenesulfonamide and acetic acid, the constituents interact via two N-H center dot center dot center dot O hydrogen bonds. The H atom situated in one of these short contacts is disordered over two positions: one of these positions is formally associated with an adduct of the neutral sulfonamide molecule and the neutral acetic acid molecule, and corresponds to a cocrystal, while the alternative site is associated with salt formation between a protonated sulfonamide molecule and deprotonated acetic acid molecule. Site-occupancy refinements and electron densities from difference Fourier maps suggest a trend with temperature, albeit of limited significance; the cocrystal is more relevant at 100 K, whereas the intensity data collected at room temperature match the description as cocrystal and salt equally well.
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