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Butane-1,4-diammonium bis-(pyridine-2-carboxyl-ate) monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(4)H(14)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated tetra-methyl-enediammonium dication, a pyridine-2-carboxyl-ate anion and half of a solvent water mol-ecule; the dication is located on a centre of inversion and a twofold rotation axis passes through the O atom of the water mol-ecule. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal structure, the components are linked by inter-molecular N-H?O, N-H?N and O-H?O hydrogen bonds.

SUBMITTER: Kim NH

PROVIDER: S-EPMC2970077 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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Butane-1,4-diammonium bis-(pyridine-2-carboxyl-ate) monohydrate.

Kim Nam-Ho NH Ha Kwang K

Acta crystallographica. Section E, Structure reports online 20090815 Pt 9

The asymmetric unit of the title compound, C(4)H(14)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated tetra-methyl-enediammonium dication, a pyridine-2-carboxyl-ate anion and half of a solvent water mol-ecule; the dication is located on a centre of inversion and a twofold rotation axis passes through the O atom of the water mol-ecule. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal structure, the compone ...[more]

PMID: 21577560

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

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Propane-1,2-diammonium bis-(6-carboxy-pyridine-2-carboxyl-ate) dihydrate.

Project description:The reaction of propane-1,2-diamine (pn) and pyridine-2,6-dicarboxylic acid (pydcH(2)) in a 1:2 molar ratio in aqueous solution resulted in the formation of the title compound, C(3)H(12)N(2) (2+)·2C(7)H(4)NO(4)·2H(2)O or (pnH(2))(pydcH)(2)·2H(2)O. The structure contains two monoanionic deprotonated forms of pyridine-2,6-dicarboxylic acid molecules (pydcH)(-), a diprotonated propane-1,2-diamine (pnH(2))(2+), and two water mol-ecules. A significant π-π stacking inter-action is observed between the pyridyl rings of the (pydcH)(-) fragments, with a face-to-face distance of 3.6194 (9) Å. In the crystal structure, a wide range of non-covalent inter-actions consisting of ion pairing, hydrogen bonding [of the types of O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O, with D⋯A distances in the range 2.454 (2)-3.222 (2)Å] and π-π stacking inter-actions [centroid-centroid distance = 3.6194 (9) Å] connect the components into a supra-molecular structure.

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

Project description: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.

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Crystal structure of butane-1,4-diyl bis-(furan-2-carboxyl-ate).

Project description:The asymmetric unit of the title compound, C14H14O6, a monomeric compound of poly(butyl-ene 2,5-furandi-carboxyl-ate), consists of one half-mol-ecule, the whole all-trans mol-ecule being generated by an inversion centre. In the crystal, the mol-ecules are inter-connected via C-H⋯O inter-actions, forming a mol-ecular sheet parallel to (10). The mol-ecular sheets are further linked by C-H⋯π inter-actions.

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