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2-[(2-Carboxyphenyl)disulfanyl]benzoate (1,5-dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1H-pyrazol-4-yl)ammonium.

ABSTRACT: In the title molecular salt, C(11)H(14)N(3)O(+)·C(14)H(9)O(4)S(2) (-), one of the carboxylic groups of the 2,2'-dithio-dibenzoic acid is deprotonated and the exocyclic amino N atom of the 4-amino-anti-pyrine is protonated. In the anion, the dihedral angle between the two benzene rings is 73.51?(5)° and in the cation the dihedral angle between the phenyl ring and the five-membered ring is 65.79?(9)°. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds connect the anions and cations into chains along [010].

SUBMITTER: Huo JZ

PROVIDER: S-EPMC2971238 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-[(2-Carboxyphenyl)disulfanyl]benzoate (1,5-dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1H-pyrazol-4-yl)ammonium.

Huo Jian-Zhong JZ

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

In the title molecular salt, C(11)H(14)N(3)O(+)·C(14)H(9)O(4)S(2) (-), one of the carboxylic groups of the 2,2'-dithio-dibenzoic acid is deprotonated and the exocyclic amino N atom of the 4-amino-anti-pyrine is protonated. In the anion, the dihedral angle between the two benzene rings is 73.51 (5)° and in the cation the dihedral angle between the phenyl ring and the five-membered ring is 65.79 (9)°. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds connect the anions and c ...[more]

PMID: 21578296

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