Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)


organic compounds



gg2095 scheme

Acta Cryst. (2012). E68, o2818    [ doi:10.1107/S1600536812037002 ]

4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate-isonicotinamide (1/1)

F. Perdih

Abstract: In the crystal structure of the title 1:1 co-crystal, C6H7N2O+·C2Cl3O2-·C6H6N2O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide molecule are twisted out of the plane of the aromatic ring with C-C-C-N torsion angles of 21.5 (4) and -33.5 (4)°, respectively. The 4-carbamoylpyridin-1-ium and isonicotinamide amide groups form R22(8) hydrogen-bonded dimers via N-H...O=C interactions. The two remaining amide H atoms (i) link dimers via the cation to an isonicotinamide and (ii) from the isonicotinamide to a trichloroacetate anion. The pyridinium H atom also forms an N-H...O hydrogen bond with the trichloroacetate anion. Due to the extended hydrogen bonding, including C-H...O and C-H...Cl interactions, all components in the structure aggregate into a three-dimensional supramolecular framework.


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