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4-(5-Amino-1H-1,2,4-triazol-3-yl)pyridinium chloride monohydrate.

ABSTRACT: In the cation of the title compound, C(7)H(8)N(5) (+)·Cl(-)·H(2)O, the mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 2.3?(1)°. The N atom of the amino group adopts a trigonal-pyramidal configuration. The N atom of the pyridine ring is protonated, forming a chloride salt. In the crystal, inter-molecular N-H?O, N-H?N, N-H?Cl and O-H?Cl hydrogen bonds link the cations, anions and water mol-ecules into layers parallel to the (1, 0, ) plane.

SUBMITTER: Chernyshev VM 

PROVIDER: S-EPMC3051743 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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4-(5-Amino-1H-1,2,4-triazol-3-yl)pyridinium chloride monohydrate.

Chernyshev Victor M VM   Tarasova Elena V EV   Chernysheva Anna V AV   Rybakov Victor B VB  

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

In the cation of the title compound, C(7)H(8)N(5) (+)·Cl(-)·H(2)O, the mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 2.3 (1)°. The N atom of the amino group adopts a trigonal-pyramidal configuration. The N atom of the pyridine ring is protonated, forming a chloride salt. In the crystal, inter-molecular N-H⋯O, N-H⋯N, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the cations, anions and water mol-ecules into layers parallel to the (1, 0, ) plane. ...[more]

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