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Propane-1,3-diaminium bis-(pyridine-4-carboxyl-ate) monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(3)H(12)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated propane-1,3-diammonium dication, a pyridine-4-carboxyl-ate anion and half of a solvent water mol-ecule; the dication and the solvent water are located on a twofold rotation axis which passes through the central C atom of the dication and the water O atom. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal, the components are linked by inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds.

SUBMITTER: Brito I

PROVIDER: S-EPMC3200944 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Propane-1,3-diaminium bis-(pyridine-4-carboxyl-ate) monohydrate.

Brito Iván I Vallejos Javier J Cárdenas Alejandro A López-Rodríguez Matías M

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

The asymmetric unit of the title compound, C(3)H(12)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated propane-1,3-diammonium dication, a pyridine-4-carboxyl-ate anion and half of a solvent water mol-ecule; the dication and the solvent water are located on a twofold rotation axis which passes through the central C atom of the dication and the water O atom. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal, ...[more]

PMID: 22065654

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N,N-Dimethyl-propane-1,2-diaminium bis-(6-carb-oxy-pyridine-2-carboxyl-ate) monohydrate.

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Propane-1,3-diyl bis-(pyridine-4-carboxyl-ate).

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