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2-Amino-5-methyl-pyridinium picolinate 0.63-hydrate.


ABSTRACT: The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(6)H(4)NO(2) (-)·0.63H(2)O, contains two crystallographically independent 2-amino-5-methyl-pyridinium cations, a pair of picolinate anions and two water mol-ecules, one with an occupancy of 0.25. Both the 2-amino-5-methyl-pyridine mol-ecules are protonated at the pyridine N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via N-H?O, N-H?N and O-H?O hydrogen bonds, as well as by C-H?O contacts, forming a chain along the b axis. In addition, weak ?-? inter-actions are observed between pyridinium rings, with centroid-centroid distances of 3.5306?(13)?Å.

SUBMITTER: Hemamalini M 

PROVIDER: S-EPMC2979649 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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2-Amino-5-methyl-pyridinium picolinate 0.63-hydrate.

Hemamalini Madhukar M   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6


The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(6)H(4)NO(2) (-)·0.63H(2)O, contains two crystallographically independent 2-amino-5-methyl-pyridinium cations, a pair of picolinate anions and two water mol-ecules, one with an occupancy of 0.25. Both the 2-amino-5-methyl-pyridine mol-ecules are protonated at the pyridine N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds, as well as by C-H⋯O contacts, formin  ...[more]

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