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

ABSTRACT: The title compound, C(6)H(18)N(2) (2+)·2C(6)H(4)NO(2) (-), consists of a doubly protonated hexa-methyl-enediammonium dication and two pyridine-2-carboxyl-ate anions. These ions inter-act by means of inter-molecular N-H?O and N-H?N hydrogen bonds to form a two-dimensional array. The carboxyl-ate groups of the anions appear to be delocalized on the basis of the C-O bond lengths.

SUBMITTER: Kim NH

PROVIDER: S-EPMC2969728 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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

Kim Nam-Ho NH Ha Kwang K

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

The title compound, C(6)H(18)N(2) (2+)·2C(6)H(4)NO(2) (-), consists of a doubly protonated hexa-methyl-enediammonium dication and two pyridine-2-carboxyl-ate anions. These ions inter-act by means of inter-molecular N-H⋯O and N-H⋯N hydrogen bonds to form a two-dimensional array. The carboxyl-ate groups of the anions appear to be delocalized on the basis of the C-O bond lengths. ...[more]

PMID: 21583258

Similar Datasets

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.

| S-EPMC2970198 | biostudies-literature

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

Project description: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.

| S-EPMC2970077 | biostudies-literature

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 ?-? 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 ?-? stacking inter-actions [centroid-centroid distance = 3.6194?(9)?Å] connect the components into a supra-molecular structure.

| S-EPMC2961371 | biostudies-literature

Hexane-1,6-diammonium dinitrate.

Project description:The hexane-1,6-diammonium cation of the title compound, C(6)H(18)N(2) (2+)·2NO(3) (-), lies across a crystallographic inversion centre and shows significant deviation from planarity in the hydro-carbon chain. This is evident from the torsion angle of -64.0°(2) along the N-C-C-C bond and thse torsion angle of -67.1°(2) along the C-C-C-C bonds. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure, with each H atom on the ammonium group exhibiting bifurcated inter-actions to the nitrate anion. Complex hydrogen-bonded ring and chain motifs are also evident, in particular a 26-membered ring with graph-set notation R(4) (4)(26) is observed.

| S-EPMC2977696 | biostudies-literature

catena-Poly[hemi(hexane-1,6-diammonium) [[aqua-dibromido-manganese(II)]-?-pyridine-2-carboxyl-ato]].

Project description:The asymmetric unit of the title compound, {(C(6)H(18)N(2))(0.5)[MnBr(2)(C(6)H(4)NO(2))(H(2)O)]}(n), contains the repeat unit of the complex anion and one-half of a hexane-1,6-diammonium cation that is located on a twofold rotation axis. In the anionic polymer, the Mn(2+) ions are bridged by the pyridine-carboxyl-ate (pic) anion ligand, forming a chain structure along the c axis. The Mn(2+) ion is six-coordinated in a distorted octa-hedral environment by one N atom of the pyridine ring, two O atoms of the two carboxyl-ate groups, one O atom of the water mol-ecule and two Br atoms. The compound displays inter-molecular N-H?O, N-H?Br, O-H?Br and O-H?O hydrogen bonding. There may also be inter-molecular ?-? inter-actions between adjacent pyridine rings, with a centroid-centroid distance of 3.992?(4)?Å.

| S-EPMC2969818 | biostudies-other

Bis(propane-1,2-diammonium) benzene-1,2,4,5-tetra-carboxyl-ate dihydrate.

Project description:In the crystal of the title hydrated molecular salt, 2C(3)H(12)N(2) (2+)·C(10)H(2)O(8) (4-)·2H(2)O, the packing is stabilized by extensive N-H?O and O-H?O hydrogen-bonding inter-actions involving all three species, forming a supra-molecular three-dimensional structure. The tetraanion is generated by inversion.

| S-EPMC3011682 | biostudies-literature

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

Project description:The title compound. C(15)H(14)N(2)O(4), (I), has a gauche-gauche (O/C/C/C-O/C/C/C or GG) conformation and is a positional isomer of propane-1,3-diyl bis-(pyridine-3-carboxyl-ate), (II). The mol-ecule of (I) lies on a twofold rotation axis, which passes through the central C atom of the aliphatic chain, giving one half-mol-ecule per asymmetric unit. There is excellent agreement of the geometric parameters of (I) and (II). The most obvious differences between them are the O/C/C/C-O/C/C/C torsion angles [56.6?(2)° in (I) and 174.0?(3)/70.2?(3)° in (II) for GG and TG conformations, respectively] and the dihedral angle between the planes of the aromatic rings [80.3?(10)° in (I) and 76.5?(3)° in (II)]. The crystal structure is stabilized by weak C-H? N and C-H? O hydrogen bonding.

| S-EPMC2979147 | biostudies-literature

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 ?-? inter-actions with a centroid-centroid distance of 3.9281?(11)?Å.

| S-EPMC3393279 | biostudies-literature

Piperazinediium bis-(2-carboxy-pyridine-3-carboxyl-ate).

Project description:The asymmetric unit of the title salt, C(4)H(12)N(2) (2+)·2C(7)H(4)NO(4) (-) or pipzH(2) (2+)·2(py-2,3-dcH(-)), prepared by a reaction between pyridine-2,3-dicarboxylic acid (py-2,3-dcH(2)) and piperazine (pipz), contains a monoanion and half of a centrosymmetric dication. The anionic fragment individually has two intra-molecular hydrogen bonds, an almost linear O-H?O bond between two carboxyl-ate groups and a C-H?O bond between the aromatic ring and carboxyl-ate group. Other O-H?O, N-H?O and C-H?O hydrogen bonds are responsible for three-dimensional expansion of the structure.

| S-EPMC2915291 | biostudies-literature

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)°.

| S-EPMC3152005 | biostudies-literature

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