Abstract
The hydro-chloride salt of isonicotinamide, C6H7N2O(+)·Cl(-), has been synthesized from a dilute solution of hydro-chloric acid in aceto-nitrile. The compound displays monoclinic symmetry (space group C2/c) at 150 K, similar to the related hydro-chloride salt of nicotinamide. The asymmetric unit contains one protonated isonicotinamide mol-ecule and a chloride anion. An array of hydrogen-bonding inter-actions, including a peculiar bifurcated pyridinium-chloride inter-action, 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.
Highlights
The hydrochloride salt of isonicotinamide, C6H7N2O+Cl, has been synthesized from a dilute solution of hydrochloric acid in acetonitrile
The ability to manipulate the properties of a compound in a controlled manner, while maintaining the biological activity, is one of the ultimate goals of crystal engineering (Desiraju et al, 2011)
Converting a biologically active compound into its hydrochloride salt has proven a successful technique in this regard (Byrn et al, 1999)
Summary
Often compounds which exhibit a desirable biological function may not possess the correct physical properties for practical usage. The ability to manipulate the properties of a compound in a controlled manner, while maintaining the biological activity, is one of the ultimate goals of crystal engineering (Desiraju et al, 2011). Isonicotinamide is a useful compound in crystal engineering as it possesses amide and pyridyl groups which have the capability to form a plethora of well established and predictable hydrogen-bonding arrangements (Bhogala et al, 2004). It displays polymorphism in the solid state on account of its flexible hydrogen-bonding capacity (Aakeröy et al, 2003; Li et al, 2011). The hydrochloride salt of this molecule has been synthesized and the structure determined, the results of which are discussed
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