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2,3-Diamino-pyridinium benzoate.

ABSTRACT: In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-), the pyridine N atom is protonated. The carboxyl-ate group of the benzoate anion is twisted away from the attached ring by 10.91?(9)°. In the crystal structure, N-H?O hydrogen bonds between 2,3-diamino-pyridinium cations and benzoate anions, and ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.6467?(9)?Å] form a two-dimensional network parallel to (001). In the network, N-H?O hydrogen bonds form R(2) (2)(8) and R(2) (1)(7) ring motifs.

SUBMITTER: Balasubramani K

PROVIDER: S-EPMC2969407 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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2,3-Diamino-pyridinium benzoate.

Balasubramani Kasthuri K Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-), the pyridine N atom is protonated. The carboxyl-ate group of the benzoate anion is twisted away from the attached ring by 10.91 (9)°. In the crystal structure, N-H⋯O hydrogen bonds between 2,3-diamino-pyridinium cations and benzoate anions, and π-π inter-actions between the pyridinium rings [centroid-centroid distance = 3.6467 (9) Å] form a two-dimensional network parallel to (001). In the network, N-H⋯O hydrogen bonds form R(2) (2)(8) an ...[more]

PMID: 21582810

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2,3-Diamino-pyridinium 3-amino-benzoate.

Project description:In the title salt, C(5)H(8)N(3) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The proton-ated N atom and one of the two N atoms of the 2-amino groups are hydrogen bonded to the 3-amino-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 3-amino-benzoate anion is twisted by 8.81?(7)° from the attached ring. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance 3.6827?(7)?Å].

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2,3-Diamino-pyridinium 4-nitro-benzoate.

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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2,3-Diamino-pyridinium 2-hy-droxy-benzoate.

Project description:In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(3) (-), the 2,3-diamino-pyridinium cation is essentially planar, with a maximum deviation of 0.006?(2)?Å. In the crystal, adjacent cations and anions are linked by pairs of N-H?O hydrogen bonds, generating R(2) (2)(8) loops. These dimers are linked by further N-H?O hydrogen bonds and C-H?O inter-actions to form sheets lying parallel to (001). A typical intra-molecular O-H?O hydrogen bond is also observed in the salicylate (2-hy-droxy-benzoate) anion, which generates an S(6) ring. The crystal structure also features ?-? stacking inter-actions between the pyridinium rings of the cations, with a centroid-centroid distance of 3.5896?(15)?Å.

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2,3-Diamino-pyridinium 4-hydroxy-benzoate.

Project description:In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(3) (-), the pyridine N atom is protonated. In the 4-hydroxy-benzoate anion, the carboxyl-ate group is twisted slightly out of the benzene ring plane by an angle of 3.77?(5)°. The protonated N atom and one of the two amino groups are hydrogen-bonded to the 4-hydroxy-benzoate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The crystal structure is further stabilized by O-H?O and C-H?O hydrogen bonds and ?-? inter-actions involving the pyridinium rings [centroid-centroid distance of 3.6277?(5)?Å], leading to the formation of a three-dimensional network.

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2,3-Diamino-pyridinium benzoate benzoic acid solvate.

Project description:In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-)·C(7)H(6)O(2), the carboxyl and carboxyl-ate groups are twisted away from their attached benzene rings by 10.75?(7) and 20.33?(6)°, respectively. In the crystal structure, the 2,3-diamino-pyridinium cations, benzoate anions and benzoic acid mol-ecules are linked into a two-dimensional network parallel to (001) by O-H?O, N-H?O and C-H?O hydrogen bonds and ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.4981?(7)?Å].

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2,6-Diamino-pyridinium 2-carb-oxy-benzoate.

Project description:In the crystal of the title mol-ecular salt, C(5)H(8)N(3) (+)·C(8)H(5)O(4) (-), the diamino-pyridine cation and the phthalate anion are linked by a pair of N-H⋯O hydrogen bonds. Within the phthalate anion, an almost symmetrical O-H⋯O hydrogen bond is observed. The ion pairs are linked by further N-H⋯O hydrogen bonds, generating a two-dimensional network lying parallel to (10).

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Bis(2,3-diamino-pyridinium) succinate trihydrate.

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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Bis(2,3-diamino-pyridinium) phthalate dihydrate.

Project description:The complete anion of the title hydrated mol-ecular salt, 2C(5)H(8)N(3) (+)·C(8)H(4)O(4) (-)·2H(2)O, is generated by a crystallographic twofold axis. In the crystal, the cations, anions and water mol-ecules are connected by N-H?O, O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure also features C-H?? inter-actions.

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2,3-Diamino-pyridinium hydrogen malonate.

Project description:In the title mol-ecular salt, C5H8N3(+)·C3H3O4(-), the cation is essentially planar, with a maximum deviation of 0.005?(1)?Å for all non-H atoms. In the anion, an intra-molecular O-H?O hydrogen bond generates an S(6) ring. In the crystal, the cations and anions are connected via N-H?O hydrogen bonds and a weak C-H?O inter-action, forming layers parallel to the ab plane.

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2,3-Diamino-pyridinium 4-carb-oxy-butano-ate.

Project description:In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(5)H(7)O(4) (-), the 2,3-diamino-pyridine mol-ecule is protonated at the pyridine N atom. The cation is essentially planar, with a maximum deviation of 0.015?(2)?Å, and the anion adopts an extended conformation. In the crystal, the hydrogen glutarate (4-carb-oxy-butano-ate) anions are self-assembled through O-H?O hydrogen bonds, forming chains. The cations are connected to the anion chains via N-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure also features aromatic ?-? inter-actions between the pyridinium cations, with a centroid-centroid distance of 3.4464?(10)?Å.

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