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2,3-Diamino-pyridinium (2E,4E)-hexa-2,4-dienoate.

ABSTRACT: In the title salt, C(5)H(8)N(3) (+)·C(6)H(7)O(2) (-), the pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The 2,3-diamino-pyridinium cation is essentially planar, with a maximum deviation of 0.068 (2) Å for one of the amino N atoms. The sorbate anion adopts an extended conformation. In the crystal structure, the protonated N atom and one of the two amino-group H atoms are hydrogen bonded to the sorbate anion through a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming two-dimensional networks parallel to (100).

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3007997 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:In the title salt, 2C(5)H(8)N(3) (+)·C(4)H(4)O(4) (2-)·3H(2)O, the asymmetric unit contains a protonated 2,3-diamino-pyridinium cation, half of a succinate dianion (disposed about a centre of inversion), and one and a half water mol-ecules. One of the water mol-ecules is disordered over two sites with occupancies of 0.670?(17) and 0.330?(17). The other water mol-ecule has an occupancy of 0.5 (from refinement). The pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The protonated N atom and one of the 2-amino H atoms are hydrogen bonded to the succinate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are consolidated into a three-dimensional network by N-H?O and O-H?O inter-actions.

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Project description:In the title salt, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (-), the pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The protonated N atom and one of the two 2-amino groups are hydrogen bonded to the 4-nitro-benzoate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The carboxyl-ate mean plane of the 4-nitro-benzoate anion is twisted by 3.77?(5)° from the attached ring and the nitro group is similarly twisted by 2.28?(10)°. In the crystal, the mol-ecules are linked by N-H?O and C-H?O inter-actions into sheets parallel to (100).

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