N‐(6‐Methylpyridin‐2‐yl)mesitylenesulfonamide and acetic acid – a salt, a cocrystal or both?

In the solid obtained from N‐(6‐methylpyridin‐2‐yl)mesitylenesulfonamide and acetic acid, the constituents interact via two N—H...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...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2015-08, Vol.71 (8), p.653-657
Hauptverfasser: Pan, Fangfang, Kalf, Irmgard, Englert, Ulli
Format: Artikel
Sprache:eng
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Zusammenfassung:In the solid obtained from N‐(6‐methylpyridin‐2‐yl)mesitylenesulfonamide and acetic acid, the constituents interact via two N—H...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.
ISSN:2053-2296
0108-2701
2053-2296
1600-5759
DOI:10.1107/S2053229615012826