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Bis(2-amino-pyridinium) 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate.

ABSTRACT: In the title compound, 2C(5)H(7)N(2) (+)·C(10)H(4)O(8) (2-), the 2-amino-pyridinium (2-apyH) cation and 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate (btcH2) anion are both nearly planar, with r.m.s. deviations of 0.015 and 0.050?Å, respectively. The angle between the latter least-squares planes is 17.68?(9)°. The overall crystal structure results from the packing of two-dimensional networks, formed by alternating 2-apyH and btcH2 linked by hydrogen bonds, parallel to (100).

SUBMITTER: Rodrigues VH

PROVIDER: S-EPMC3344628 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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Bis(2-amino-pyridinium) 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate.

Rodrigues V H VH Hakimi Mohammad M Motieiyan Elham E

Acta crystallographica. Section E, Structure reports online 20120425 Pt 5

In the title compound, 2C(5)H(7)N(2) (+)·C(10)H(4)O(8) (2-), the 2-amino-pyridinium (2-apyH) cation and 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate (btcH2) anion are both nearly planar, with r.m.s. deviations of 0.015 and 0.050 Å, respectively. The angle between the latter least-squares planes is 17.68 (9)°. The overall crystal structure results from the packing of two-dimensional networks, formed by alternating 2-apyH and btcH2 linked by hydrogen bonds, parallel to (100). ...[more]

PMID: 22590390

Similar Datasets

Poly[diaqua-(?(4)-2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ato-?(4)O(1):O(2):O(4):O(5))(?(2)-2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ato-?(2)O(1):O(4))bis-(1,10-phenanthroline-?(2)N,N')dimanganese(II)].

Project description:In the title compound, [Mn(2)(C(10)H(4)O(8))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](n), the Mn(2+) ion has a slightly distorted octa-hedral N(2)O(4) coordination geometry being coordinated by one aqua O atom, two N atoms of the chelating 1,10-phenanthroline ligand and three carboxyl O atoms from three 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate (H(2)btec(2-)) ligands. The H(2)btec(2-) anion exhibits two different coordination modes, viz. ?(2) and ?(4). Both of the H(2)btec(2-) anions are located on special positions (inversion centers). The ?(4)-anion bridges adjacent Mn(II) atoms, forming a chain along the a axis. Adjacent chains are further bridged by ?(2)-anions, resulting in a two-dimensional layered polymer parallel to (011). In the crystal, extensive carb-oxy-carboxyl-ate O-H?O and water-carboxyl-ate O-H?O inter-actions lead to the formation of a three-dimensional supra-molecular network.

| S-EPMC3435605 | biostudies-literature

1,1'-[1,4-Phenyl-enebis(methyl-ene)]bis-(2-methyl-1H-imidazol-3-ium) 2,4-dicarb-oxy-benzene-1,5-dicarboxyl-ate monohydrate.

Project description:In the dication of the title compound, C(16)H(20)N(4) (2+)·C(10)H(4)O(8) (2-)·H(2)O, the dihedral angles formed by mean planes of the imidazolium rings and the benzene ring are 69.05?(18) and 89.1?(2)°. In the crystal, the components are linked into a three-dimensional network by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC3151773 | biostudies-literature

Hexa-kis-(propyl-ammonium) benzene-1,2,4,5-tetra-carboxyl-ate 2,5-dicarb-oxy-benzene-1,4-carboxyl-ate tetra-hydrate.

Project description:The title organic salt, 6C(3)H(10)N(+)·C(10)H(2)O(8) (4-)·C(10)H(4)O(8) (2-)·4H(2)O, contains seven independent entities in the asymmetric unit which comprises three propyl-ammonium cations, two water mol-ecules, half a 2,5-dicarb-oxy-benzene-1,4-carboxyl-ate dianion (H(2)btc(2-)) and half a benzene-1,2,4,5-tetra-carboxyl-ate tetra-anion (btc(4-)), the latter two anions being located about centres of inversion. One of the water mol-ecules is disordered over two positions in a 0.55?(2):0.45?(2) ratio. The combination of mol-ecular ions and water mol-ecules results in an extensive and complex three-dimensional network of hydrogen bonds, the network being made up of nine unique N-H?O inter-actions between the ammonium cations and the anions, as well as four unique O-H?O inter-actions between the water mol-ecules and the anions.

| S-EPMC3435833 | biostudies-other

1,4-Bis(4-amino-phen-oxy)benzene.

Project description:The title compound, C(18)H(16)N(2)O(2), is a precusor for the synthesis of polyimides. The mol-ecule is located on a crystallographic inversion center and the terminal amino-phen-oxy rings are almost perpendicular to the central benzene ring with a dihedral angle of 85.40?(4)°. The mol-ecular conformation is stabilized by N-H?O and N-H?N inter-molecular hydrogen-bonding inter-actions.

| S-EPMC2960774 | biostudies-literature

1,4-Bis(1,1-dimethyl-prop-yl)-2,5-dimeth-oxy-benzene.

Project description:The title compound, C(18)H(30)O(2), was prepared by Friedel-Crafts alkyl-ation of 1,4-dimeth-oxy-benzene with 2-methyl-2-butanol. The complete mol-ecule is generated by the application of a crystallographic centre of inversion. The two meth-oxy groups are oriented in the same plane of the aromatic ring [C-C-O-C torsion angle = 9.14?(16)°]. While one methyl group of the tert-pentyl substituent is coplanar with the benzene ring [C-C-C-C = 0.45?(15)°] and lies towards the less-hindered H atom, the other methyl and ethyl groups are directed to either side of the benzene ring [C-C-C-C torsion angles = 118.78?(12) and 59.11?(14)°, respectively]. In the crystal, the hydro-phobic mol-ecules pack to form a brick-wall-like architecture.

| S-EPMC3201239 | biostudies-literature

Poly[tris-(2,5-dimethyl-benzene-1,4--dicarboxyl-ato)bis-(pyridine)trizinc(II)].

Project description:The asymmetric unit of the title polymeric compound, [Zn(3)(C(10)H(8)O(4))(3)(C(5)H(5)N)(2)](n) or [Zn(3)(dmbdc)(3)(py)(2)](n) (dmbdc = 2,5-dimethyl-benzene-dicarboxyl-ate; py = pyridine) contains two Zn(II) ions, one of which is located on an inversion centre, one and a half 2,5-dimethyl-benzene-dicarboxyl-ate ligands and one pyridine ligand. Each ZnO(6) octa-hedron is sandwiched between two ZnO(4)N square-pyramids, forming a trinuclear zinc secondary building unit (SBU); each SBU is further linked by six 2,5-dimethyl-benzene-dicarboxyl-ate ligands with six adjacent trinuclear zinc SBU's, forming a two-dimensional layer structure with a (3,6) net. One of the three zinc ions is octa-hedrally coordinated and the other two are square-pyramidally coordinated. The coordination modes for 2,5-dimethyl-benzene-dicarboxyl-ates are bis-(bidentate) or bidentate-tridentate.

| S-EPMC2983653 | biostudies-literature

Poly[[dodeca-aqua-(?(4)-benzene-1,4-dicarboxyl-ato)(?(2)-4,4'-bipyridine-?(2)N:N')dicerium(III)] bis-(benzene-1,4-dicarboxyl-ate)].

Project description:The asymmetric unit of the title compound, {[Ce(2)(C(8)H(4)O(4))(C(10)H(8)N(2))(H(2)O)(12)](C(8)H(4)O(4))(2)}(n), consists of half a Ce(III) cation, a quarter of a coordinated benzene-1,4-dicarboxyl-ate (bdc(2-)) dianion, a quarter of a 4,4'-bipyridine (bpy) mol-ecule, three water mol-ecules and a half of an uncoordinated benzene-1,4-dicarboxyl-ate dianion. The Ce(III) ion is located on a twofold rotation axis and exhibits a distorted trigonal prism square-face tricapped coordination geometry. The coordinated and uncoordinated bdc(2-) ions and the bpy mol-ecule lie about special positions of site symmetries 2/m, m and 2/m, respectively. The Ce(III) ions are bridged by the bdc(2-) and bpy ligands, giving a sheet structure parallel to the ac plane. The uncoordinated bdc(2-) dianion exists between the sheets and links the sheets by inter-molecular O-H?O hydrogen bonds between the uncoordinated bdc(2-) and coordinated water mol-ecules. A ?-? stacking inter-action between the uncoordinated bdc(2-) dianion and the bpy ligand [centroid-centroid distance = 3.750?(4)?Å] is also observed.

| S-EPMC3344367 | biostudies-literature

Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb-oxy-lic acid] 2,5-dicarb-oxy-benzene-1,4-di-carboxyl-ate octa-hydrate.

Project description:The asymmetric unit of the title compound, 2C(14)H(18)N(5)O(3) (+)·C(10)H(5)O(8) (2-)·8H(2)O, contains one [H(2)ppa](+)cation, one half of an [H(2)btec](2-) anion (H(4)btec = 1,2,4,5-benzene-tetra-carb-oxy-lic acid and Hppa = 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb-oxy-lic acid) that is completed by inversion symmetry and four water mol-ecules. In the crystal, the mol-ecules are connected by inter-molecular hydrogen-bonding inter-actions and π-π stacking between the benzene rings of the [H(2)btec](2-) anion and the pyrimidine rings of the [H(2)ppa](+) cation [centroid-centroid distance = 3.597 (3) Å], generating a three-dimensional supra-molecular structure.

| S-EPMC3099930 | biostudies-literature

2-Amino-5-chloro-pyridinium 2-carb-oxy-benzoate-benzene-1,2-dicarb-oxy-lic acid (3/1).

Project description:The asymmetric unit of the title compound, 3C(5)H(6)ClN(2) (+)·3C(8)H(5)O(4) (-)·C(8)H(6)O(4), contains three independent 2-amino-5-chloro-pyridinium cations, three independent hydrogen phthal-ate anions and one phthalic acid mol-ecule. In the crystal structure, there are two kinds of supra-molecular tapes. One is formed by two independent cations with two anions through N-H?O and C-H?O hydrogen bonds. Another one is formed by the other cation and anion, and the phthalic acid mol-ecule via N-H?O, O-H?O and C-H?O hydrogen bonds. These two tapes are connected by an O-H?O hydrogen bond, forming a double-tape structure.

| S-EPMC2983198 | biostudies-literature

Hexaaqua-cobalt(II) 3,3'-dicarb-oxy-biphenyl-4,4'-dicarboxyl-ate.

Project description:In the crystal structure of the title compound, [Co(H(2)O)(6)](C(16)H(8)O(8)), both the cation and anion are centrosymmetric. The Co cation displays a CoO(6) octa-hedral geometry formed by six water mol-ecules. In the anion, the two carboxyl groups are oriented at dihedral angles of 4.8?(5) and 10.4?(7)° with respect to the benzene ring. Very strong O-H?O hydrogen bonds between the protonated and deprotonated carboxylate groups occur. Neighbouring cations and anions are connected through O-H?O hydrogen bonds into a three-dimensional supra-molecular structure.

| S-EPMC3007239 | biostudies-literature

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