Crystal structure of 4-carbamoylpyridinium chloride

• Main Authors: Simon M. Fellows, Timothy J. Prior
• Format: Article
• Language: English
• Published: International Union of Crystallography 2016-04-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; isonicotinamide; hydrochloride; hydrogen bonding
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989016003340

The hydrochloride salt of isonicotinamide, C6H7N2O+·Cl−, has been synthesized from a dilute solution of hydrochloric acid in acetonitrile. The compound displays monoclinic symmetry (space group C2/c) at 150 K, similar to the related hydrochloride salt of nicotinamide. The asymmetric unit contains one protonated isonicotinamide molecule and a chloride anion. An array of hydrogen-bonding interactions, including a peculiar bifurcated pyridinium–chloride interaction, results in linear chains running almost perpendicularly in the [150] and [1-50] directions within the structure. A description of the hydrogen-bonding network and comparison with similar compounds are presented.