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2-Amino-3-methyl-pyridinium 2-amino-5-methyl-pyridinium sulfate monohydrate.

ABSTRACT: The asymmetric unit of the title compound, 2C(6)H(9)N(2) (+)·SO(4) (2-)·H(2)O, contains two isomeric protonated amino-methyl-pyridine cations, a sulfate anion and a solvent water mol-ecule. The cations are in the iminium tautomeric form. In the crystal structure, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the components into a three-dimensional network. Additional stabilization is provided by weak ?-? stacking inter-actions, with centroid-centroid distances of 3.758?(2) and 3.774?(1)?Å.

SUBMITTER: Gong J

PROVIDER: S-EPMC2972034 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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2-Amino-3-methyl-pyridinium 2-amino-5-methyl-pyridinium sulfate monohydrate.

Gong Jiang J Chen Gang G Ni Shi-Feng SF Zhang Yong-Yao YY Wang Hai-Bin HB

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12

The asymmetric unit of the title compound, 2C(6)H(9)N(2) (+)·SO(4) (2-)·H(2)O, contains two isomeric protonated amino-methyl-pyridine cations, a sulfate anion and a solvent water mol-ecule. The cations are in the iminium tautomeric form. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds link the components into a three-dimensional network. Additional stabilization is provided by weak π-π stacking inter-actions, with centroid-centroid distances of 3.758 (2) and ...[more]

PMID: 21578895

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