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9-Amino-acridinium bis-(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))ferrate(III) tetra-hydrate.

ABSTRACT: The asymmetric unit of the title compound, (C(13)H(11)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O, contains a 9-amino-acridinium cation, one anionic complex and four uncoordinated water mol-ecules. In the anionic complex, the Fe(III) ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78 (7)°] pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. In the crystal, anions are connected into chains along [10-1] by weak C-H⋯O inter-actions, which create ten-membered hydrogen-bonded R(2) (2)(10) rings. These chains are linked by three-membered water clusters. The final three-dimensional network is constructed by numerous inter-molecular O-H⋯O and N-H⋯O inter-actions.

SUBMITTER: Mirzaei M

PROVIDER: S-EPMC3379098 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)ferrate(III) tetra-hydrate.

Project description:In the title compound, (C(10)H(9)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O or (bpyH)[Fe(pydc)(2)]·4H(2)O, the asymmetric unit contains an [Fe(pydc)(2)](-) (pydcH(2)= pyridine-2,6-dicarboxylic acid) anion, a protonated 4,4'-bipyridine as a counter-ion, (bpyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Fe(III )atom. A wide range of non-covalent inter-actions, i.e. O-H?O, O-H?N and N-H?O hydrogen bonds, ion pairing, C-O?? [3.431?(2)?Å] and C-H?? stacking inter-actions result in the formation of a three-dimensional network structure.

| S-EPMC2983936 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(?-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-?-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [3.570?(1), 3.758?(1) and 3.609?(1)?Å], are observed in the crystal structure.

| S-EPMC3007465 | biostudies-literature

Poly[[dodeca-aqua-bis-(?(3)-pyridine-2,6-dicarboxyl-ato)tetra-kis-(?(2)-pyridine-2,6-dicarboxyl-ato)tri-calciumdieuropium(III)] 10.5-hydrate].

Project description:In the title compound, {[Ca(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·10.5H(2)O}(n), the Eu(III) ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate (PDA) ligands, forming a [Eu(PDA)(3)](3-) building block. The Ca(2+) ions adopt two types of coordination geometries. One Ca(2+) ion, lying on a twofold rotation axis, is eight-coordinated by four carboxyl-ate O atoms from four PDA ligands and four water mol-ecules, and the other two Ca(2+) ions, each lying on an inversion center, are six-coordinated by two carboxyl-ate O atoms from two PDA ligands and four water mol-ecules. The carboxyl-ate groups bridge the Eu(III) and Ca(2+) ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water mol-ecules are located. Two of the lattice water mol-ecules are disordered over two sets of sites with equal occupancy and one water mol-ecule is 0.25-occupied. Numerous O-H?O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms are present.

| S-EPMC3344405 | biostudies-literature

Acridinium (6-carboxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)zincate(II) penta-hydrate.

Project description:The reaction of Zn(NO(3))(2) with pyridine-2,6-dicarboxylic acid (pydcH(2)) and acridine (acr) in aqueous solution leads to the formation of the title compound, (C(13)H(10)N)[Zn(C(7)H(3)NO(4))(C(7)H(4)NO(4))]·5H(2)O or (acrH)[Zn(pydcH)(pydc)]·5H(2)O. In the title compound, the Zn(II) atom is coordinated by four O atoms and two N atoms from the tridentate chelating rings of (pydc)(2-) and (pydcH)(-) anions. The geometry of the resulting ZnN(2)O(4) coordination can be described as distorted octa-hedral. To balance the charges, one protonated acridine (acrH)(+) cation is present. In the crystal structure, extensive O-H?O and N-H?O hydrogen bonds involving acrH(+), the complex anion and uncoordinated water mol-ecules form a three-dimensional network.

| S-EPMC2968778 | biostudies-literature

Tetra-kis(1,10-phenanthroline)bis-(?-pyridine-2,6-dicarboxyl-ato)(pyridine-2,6-di-carboxyl-ato)dicopper(II)terbium(III) nitrate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu?Tb distance of 5.0592?(11)?Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H?O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive ?-? stacking inter-actions [centroid-centroid distances = 4.332?(7) and 3.878?(5)?Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.

| S-EPMC3414140 | biostudies-literature

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:The asymmetric unit of the title compound, (C(13)H(11)N(2))(2)[Cu(C(7)H(3)NO(4))(2)]·3H(2)O, consists of one [Cu(pydc)(2)](2-) dianion (pydc is pyridine-2,6-dicarboxyl-ate), two 9-amino-acridinum monocations and three uncoordinated water mol-ecules. The Cu(II) atom is coordinated by two pydc dianions acting as tridentate ligands, and forming five-membered chelate rings with copper(II) as the central atom. The Cu(II) atom is surrounded by four O atoms in the equatorial plane and two pyridine N atoms in axial positions, resulting in a distorted octa-hedral coordination geometry. In the crystal, there are two types of O-H?O and N-H?O hydrogen-bonding synthons linking the anionic and cationic fragments and the water mol-ecules, namely R(4) (4)(16), and R(4) (2)(8). There are also weak C-H?O hydrogen bonds, ?-? stacking inter-actions [the shortest centroid-centroid distance is 3.350?(2)?Å], and a C-O?? inter-action [O?centroid distance = 3.564?(2)?Å], which connect the various components into a three-dimensional network.

| S-EPMC2983232 | biostudies-literature

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato)zincate(II) trihydrate.

Project description:In the title compound, (C(13)H(11)N(2))(2)[Zn(C(7)H(3)NO(4))(2)]·3H(2)O, the Zn(II) ion is six-coordinated with the N(4)O(2) donor set being a distorted octa-hedron through two almost perpendicular (r.m.s. deviation of ligand atoms from the mean plane is 0.057?Å) tridentate pyridine-2,6-dicarboxyl-ate ligands [dihedral angle between the ligands = 86.06?(4)°]. The charge is compensated by two 9-amino-acridinium cations protonated on the ring N atom. A variety of inter-molecular contacts, such as ion-ion, N-H?O and O-H?O hydrogen bonds, and ?-? stacking [centroid-centroid distances = 3.4907?(9)-4.1128?(8)?Å], between cations and between anions, play important roles in the formation of the three-dimensional network.

| S-EPMC3343781 | biostudies-literature

4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)chromium(III) tetra-hydrate.

Project description:The title compound, (C(10)H(9)N(2))[Cr(C(7)H(3)NO(4))(2)]·4H(2)O or (4,4'-bipyH)[Cr(pydc)(2)]·4H(2)O (where 4,4'-bipy is 4,4'-bipyridine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of chromium(III) chloride hexa-hydrate with pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine in a 1:2:4 molar ratio in aqueous solution. This compound is composed of an anionic complex, [Cr(pydc)(2)](-), protonated 4,4'-bipyridine as a counter-ion, (4,4'-bipyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Cr(III) atom, formed by two tridentate pyridine-2,6-dicarboxyl-ate, pydc(2-), groups. Inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and C-O⋯π stacking inter-actions (with distances of 3.3390 (13) and 3.4575 (13) Å) connect the various components into a supra-molecular structure.

| S-EPMC2960993 | biostudies-literature

Creatininium bis-(pyridine-2,6-dicarboxyl-ato)chromate(III) pyridine-2,6-dicarboxylic acid hexa-hydrate.

Project description:The title compound, (C(4)H(8)N(3)O)[Cr(C(7)H(3)NO(4))(2)]·C(7)H(5)NO(4)·6H(2)O, was obtained by the reaction of Cr(NO(3))(3)·9H(2)O with pyridine-2,6-dicarboxylic acid (pydcH(2)) and creatinine (creat) in aqueous solution (molar ratio 1:2:2). The cation is a protonated creatinine (creatH(+)) while the anion is a bis-pydc(2-) Cr(III) complex. The Cr(III) is coordinated by four oxygen and two nitro-gen atoms of two (pydc)(2-) groups and has a disorted octa-hedral coordination environment. The structure also contains a neutral mol-ecule of pydcH(2) that is hydrogen bonded to the creatH(+) and six mol-ecules of water. Extensive inter-molecular inter-actions, including seventeen classical hydrogen bonds, two weak C-H?O bonds, and C-O?? stacking inter-actions, with O?centroid distances of 3.211?(13) and 3.300?(12)?Å, connect the various components in the crystal structure.

| S-EPMC2959312 | biostudies-literature

Piperazine-1,4-diium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cobaltate(II) tetra-hydrate.

Project description:The asymmetric unit of the title complex, (C(4)H(12)N(2))[Co(C(7)H(3)NO(4))(2)]·4H(2)O, consists of one piperazinediium dication, one [Co(py-2,6-dc)(2)](2-) dianion (where py-2,6-dc is pyridine-2,6-dicarboxyl-ate) and four water mol-ecules. The piperazinediium cation adopts a chair conformation and the Co(II) ion is six-coordinated in an N(2)O(4) environment, having a distorted octa-hedral geometry. In the crystal, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the components, forming a three-dimensional network.

| S-EPMC3151836 | biostudies-literature

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