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4,4'-Bipyridinium bis-(2-carboxy-pyridine-3-carboxyl-ate).

ABSTRACT: The title salt, C(10)H(10)N(2) (2+)·2C(7)H(4)NO(4) (-) or (4,4'-bpyH(2))(py-2,3-dcH)(2), prepared by the reaction between pyridine-2,3-dicarboxylic acid (py-2,3-dcH(2)) and 4,4'-bipyridine (4,4'-bpy), consists of two anions and one centrosymmetric dication. In the crystal, there are two strong O-H?O hydrogen bonds involving the two carboxyl-ate groups, with an O?O distance of 2.478?(1)?Å, and an N-H?N hydrogen bond between the anion and cation, with an N?N distance of 2.743?(1)?Å. These inter-actions, along with other O-H?O and C-H?O hydrogen bonds, ?-? stacking [centroid-centroid distances 3.621?(7) and 3.612?(7)?Å] and ion pairing, lead to the formation of the three-dimensional structure.

SUBMITTER: Soleimannejad J

PROVIDER: S-EPMC2968067 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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4,4'-Bipyridinium bis-(2-carboxy-pyridine-3-carboxyl-ate).

Soleimannejad Janet J Aghabozorg Hossein H Morsali Ali A Hemmati Foruzan F Manteghi Faranak F

Acta crystallographica. Section E, Structure reports online 20081217 Pt 1

The title salt, C(10)H(10)N(2) (2+)·2C(7)H(4)NO(4) (-) or (4,4'-bpyH(2))(py-2,3-dcH)(2), prepared by the reaction between pyridine-2,3-dicarboxylic acid (py-2,3-dcH(2)) and 4,4'-bipyridine (4,4'-bpy), consists of two anions and one centrosymmetric dication. In the crystal, there are two strong O-H⋯O hydrogen bonds involving the two carboxyl-ate groups, with an O⋯O distance of 2.478 (1) Å, and an N-H⋯N hydrogen bond between the anion and cation, with an N⋯N distance of 2.743 (1) Å. These inter-ac ...[more]

PMID: 21581611

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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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Project description:The triclinic unit cell of the title compound, N(2)H(6) (2+)·2C(6)H(3)N(2)O(4) (-)·2H(2)O, contains one doubly protonated hydrazine cation which lies on an inversion centre, two symmetry-related singly deprotonated 6-carboxy-pyridazine-3-carboxyl-ate anions and two symmetry-related solvent water mol-ecules. The anions inter-act via hydrogen bonds to form double ribbons which are bridged by hydrogen bonds donated by hydrazinediium cations and water molecules.

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

Project description:The mol-ecule of the title compound, C(16)H(16)N(2)O(4), lies about an inversion centre; the butane chain adopts an extended zigzag conformation. The dihedral angle between the pyridine ring and the adjacent COO group is 3.52?(s14)°.

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

Project description:The title compound, C(15)H(14)N(2)O(4), has a trans-gauche [O/C/C/C-O/C/C/C] (TG) conformation. The angle between the planes of aromatic rings is 76.4 (3)°. The crystal structure is stabilized by van der Waals inter-actions and C-H⋯O hydrogen bonds. The crystal used was a non-merohedral twin with a fractional contribution of the minor component of 0.443 (5).

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Hexane-1,6-diammonium bis-(pyridine-2-carboxyl-ate).

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

Project description:Mol-ecules of the title compound (alternative name: butane-1,4-diyl dinicotinate), C(16)H(16)N(2)O(4), lie on a inversion centre, located at the mid-point of the central C-C bond of the aliphatic chain, giving one half-mol-ecule per asymmetric unit. The butane chain adopts an all-trans conformation. The dihedral angle between the mean plane of the butane-3-carboxyl-ate group [for the non-H atoms, maximum deviation = 0.0871 (15) Å] and the pyridine ring is 10.83 (7)°. In the crystal, mol-ecules lie in planes parallel to (122). The structure features weak π-π inter-actions with a centroid-centroid distance of 3.9281 (11) Å.

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1,1'-Dimethyl-4,4'-bipyridinium bis-(triiodide).

Project description:In the title compound, C(12)H(14)N(2) (2+)·2I(3) (-), the 1,1'-dimethyl-4,4'-bipyridinium (DMBP) dication is charge balanced by two triiodide ions. The DMBP dication is planar within 0.010 (5) Å. The asymmetric unit contains only half of the dication, the other half being generated by an inversion center. Weak C-H⋯I inter-actions link the ions into sheets parallel to (121).

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Cyclo-hexane-1,2-diammonium bis-(pyridine-2-carboxyl-ate).

Project description:In the dication of the title salt, C(6)H(16)N(2) (2+)·2C(6)H(4)NO(2) (-), the two ammonium groups are in the equatorial positions of the chair-shaped cyclo-hexyl ring. In the crystal, the cations and anions are linked by N-H?O and N-H?N hydrogen bonds, forming a layer network parallel to the ac plane. Weak ?-? inter-actions between adjacent pyridine rings with a centroid-centroid distance of 3.589?(2)?Å are also present.

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