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2-Amino-5-chloro-pyridinium 4-hydroxy-benzoate.

ABSTRACT: In the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 7.16?(9)° from the attached ring. In the crystal structure, the cations and anions are linked via O-H?O and N-H?O hydrogen bonds, as well as C-H?O contacts, forming a three-dimensional network. In addition, weak ?-? inter-actions involving the benzene and pyridinium rings, with centroid-to-centroid distances of 3.8941?(9)?Å, are observed.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC2983740 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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2-Amino-5-chloro-pyridinium 4-hydroxy-benzoate.

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

In the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 7.16 (9)° from the attached ring. In the crystal structure, the cations and anions are linked via O-H⋯O and N-H⋯O hydrogen bonds, as well as C-H⋯O contacts, forming a three-dimensional network. In addition, weak π-π inter-actions involving the benzene and pyridinium rings, with centroid-to-centroid distances of 3.8941 (9) Å, are observed. ...[more]

PMID: 21580326

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2-Amino-pyridinium 4-hydroxy-benzoate.

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Project description:In the 5-chloro-salicylate anion of the title salt, C6H9N2(+)·C7H4ClO3(-), an intra-molecular O-H?O hydrogen bond with an S(6) graph-set motif is observed and the dihedral angle between the benzene ring and the -CO2 group is 1.6?(6)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R2(2)(8) ring motif. The crystal structure also features N-H?O and weak C-H?O inter-actions, resulting in a layer parallel to (10-1).

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Project description:In the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 13.07?(4)° from the attached ring. In the crystal structure, the ions are linked into a two-dimensional network by N-H?O, O-H?O and C-H?O hydrogen bonds. Within this network, the N-H?O hydrogen bonds generate R(2) (2)(8) ring motifs. In addition, ?-? inter-actions involving the pyridinium rings, with a centroid-centroid distance of 3.7599?(4)?Å, are observed.

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