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4-Carbamoylpyridin-1-ium 2,2,2-tri-chloro-acetate-isonicotinamide (1/1).

ABSTRACT: In the crystal structure of the title 1:1 co-crystal, C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (-)·C(6)H(6)N(2)O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide mol-ecule 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 R(2) (2)(8) hydrogen-bonded dimers via N-H?O=C inter-actions. The two remaining amide H atoms (i) link dimers via the cation to an isonicotinamide and (ii) from the isonicotinamide to a trichloro-acetate anion. The pyridinium H atom also forms an N-H?O hydrogen bond with the trichloro-acetate 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 supra-molecular framework.

SUBMITTER: Perdih F

PROVIDER: S-EPMC3435842 | biostudies-other | 2012 Sep

REPOSITORIES: biostudies-other

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4-Carbamoylpyridin-1-ium 2,2,2-tri-chloro-acetate-isonicotinamide (1/1).

Perdih Franc F

Acta crystallographica. Section E, Structure reports online 20120831 Pt 9

In the crystal structure of the title 1:1 co-crystal, C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (-)·C(6)H(6)N(2)O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide mol-ecule 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 R(2) (2)(8) hydrogen-bonded dimers via N-H⋯O=C inter-actions. The two remaining amide H atoms (i) link dimers via the cati ...[more]

PMID: 22969688

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